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Sugi Predict / Compounds / Nicaraven

Nicaraven

Nicaraven

SCHEMBL9345376

CC(CNC(=O)c1cccnc1)NC(=O)c1cccnc1.O=[N+]([O-])O.O=[N+]([O-])O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nicaraven. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ LMNA P02545 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ THRB P10828 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ MAPT P10636 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ EPHX2 P34913 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Nicaraven SCHEMBL9345911 1.00 KMT2A (0.57) KMT2AMEN1LMNAHSD17B10CYP2C9
Nicaraven SCHEMBL677580 0.92 KMT2A (0.66) KMT2AMEN1LMNAHSD17B10CYP2C9
Nicaraven SCHEMBL31420006 0.92 KMT2A (0.66) KMT2AMEN1LMNAHSD17B10CYP2C9
Nicaraven SCHEMBL9346555 0.88 LMNA (0.63) KMT2AMEN1LMNAHSD17B10CYP2C9
Nitric Acid SCHEMBL28384651 0.81 KMT2A (0.61) KMT2AMEN1HSD17B10CYP2C9CYP2C19
Nitric Acid SCHEMBL10435217 0.81 MEN1 (0.51) KMT2AMEN1LMNAHSD17B10CYP2C9
SCHEMBL3819701 0.80 KMT2A (0.71) KMT2AMEN1LMNAHSD17B10CYP2C9
SCHEMBL9673573 0.79 KMT2A (0.59) KMT2AMEN1HSD17B10CYP2C9CYP2C19
SCHEMBL9345939 0.79 LMNA (0.55) KMT2AMEN1LMNAHSD17B10ALDH1A1
SCHEMBL9346961 0.79 KMT2A (0.60) KMT2AMEN1LMNAALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376185-B1 Process for purification of 1,2-bis(nicotinamido)propane CHUGAI PHARMACEUTICAL CO LTD (JP) 1994-08-17 — — EP claimed
US-5099022-A Process for purification of 1,2-bis(nicotinamido)propane CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1992-03-24 — — US claimed
EP-0376185-A2 Process for purification of 1,2-bis(nicotinamido)propane Chugai Seiyaku Kabushiki Kaisha (JP) 1990-07-04 — — EP claimed
JP-2256664-A — — None — — JP disclosed
EP-0376185-B1 Process for purification of 1,2-bis(nicotinamido)propane CHUGAI PHARMACEUTICAL CO LTD (JP) 1994-08-17 — — EP disclosed
US-5099022-A Process for purification of 1,2-bis(nicotinamido)propane CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1992-03-24 — — US disclosed
US-5099022-A Process for purification of 1,2-bis(nicotinamido)propane CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1992-03-24 — — US disclosed
EP-0376185-A3 PROCESS FOR PURIFICATION OF 1,2-BIS(NICOTINAMIDO)PROPANE Chugai Seiyaku Kabushiki Kaisha (JP) 1991-03-27 — — EP disclosed
JP-H02256664-A PURIFICATION OF1,2-BIS(NICOTINAMIDE)PROPANE CHUGAI PHARMACEUT CO LTD 1990-10-17 — — JP disclosed
EP-0376185-A2 Process for purification of 1,2-bis(nicotinamido)propane Chugai Seiyaku Kabushiki Kaisha (JP) 1990-07-04 — — EP disclosed
EP-0376185-A2 Process for purification of 1,2-bis(nicotinamido)propane Chugai Seiyaku Kabushiki Kaisha (JP) 1990-07-04 — — EP disclosed