SCHEMBL13626447

SCHEMBL13626447

CCc1ccccc1NC(=O)c1cc[nH]c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.55
▸ KCNK9 Q9NPC2 1/20 0.55
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CFTR P13569 1/20 0.50
▸ KMT2A Q03164 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ HDAC3 O15379 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
SCHEMBL580277 0.83 KDM4E (0.56) MAPTLMNACYP3A4HPGDCYP2C19
SCHEMBL15165560 0.81 HPGD (0.65) MAPTLMNAHPGDALDH1A1TP53
SCHEMBL2914620 0.80 KCNK3 (0.68) KCNK3KCNK9MAPTLMNACYP1A2
SCHEMBL528445 0.80 KCNK3 (0.77) KCNK3KCNK9MAPTLMNACYP1A2
SCHEMBL4783765 0.78 SMN1; SMN2 (0.54) MAPTLMNAALDH1A1TP53KMT2A
SCHEMBL12666627 0.78 ALDH1A1 (0.44) MAPTHPGDALDH1A1TP53L3MBTL1
SCHEMBL27616908 0.77 KCNK3 (0.68) KCNK3KCNK9MAPTLMNACYP1A2
SCHEMBL6954756 0.75 PTPN1 (0.58) KCNK3KCNK9MAPTHPGDALDH1A1
Hydrochloric Acid SCHEMBL31228747 0.75 PTPN1 (0.58) KCNK3KCNK9MAPTHPGDALDH1A1
SCHEMBL2309216 0.75 MAPT (0.63) KCNK3KCNK9MAPTLMNACYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 — — WO disclosed
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