SCHEMBL19212222

SCHEMBL19212222

NCCc1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ME2 P23368 4/20 0.50
▸ ME1 P48163 4/20 0.50
▸ ME3 Q16798 4/20 0.50
▸ ITGB3 P05106 2/20 0.50
▸ ITGA2B P08514 2/20 0.50
▸ MAPT P10636 6/20 0.49
▸ GFER P55789 4/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ S1PR1 P21453 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL110127 0.87 POLB (0.50) ME2ME1ME3ITGB3ITGA2B
SCHEMBL14830657 0.82 ITGB3 (0.48) ITGB3ITGA2BMAPTMEN1KMT2A
SCHEMBL1136936 0.81 CHKA (0.54) ME2ME1ME3MAPTGFER
SCHEMBL854196 0.81 GFER (0.71) MAPTGFERMEN1KMT2ACASP6
SCHEMBL20303650 0.81 HRH3 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19211095 0.80 MEN1 (0.56) ME2ME1ME3MAPTGFER
SCHEMBL177462 0.79 S1PR1 (0.71) ME2ME1ME3MAPTMEN1
SCHEMBL19212323 0.79 MAPT (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL19211077 0.79 MEN1 (0.55) ME2ME1ME3MAPTGFER
SCHEMBL19212181 0.78 KMT2A (0.47) MAPTGFERMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019180686-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — WO disclosed
EP-3414252-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 — — EP disclosed
WO-2017139778-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 — — WO disclosed
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