SCHEMBL8414188

SCHEMBL8414188

COc1ccc2c(Cl)c(C(=O)NN)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
ALDH1A1 P00352 5/20 1.00
KDM4E B2RXH2 4/20 1.00
GAA P10253 3/20 1.00
LMNA P02545 3/20 1.00
NPSR1 Q6W5P4 3/20 0.72
MAPK1 P28482 2/20 0.72
PRNP P04156 1/20 0.72
TSHR P16473 1/20 0.72
PPARG P37231 1/20 0.72
HTT P42858 1/20 0.72
MAPK10 P53779 1/20 0.72
NCOA2 Q15596 1/20 0.72
RXFP1 Q9HBX9 1/20 0.72
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
HPGD P15428 2/20 0.63
POLB P06746 1/20 0.63
KMT2A Q03164 5/20 0.61

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
SCHEMBL18970426 0.87 MAPT (0.78) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL8412494 0.84 NPSR1 (0.74) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL18960346 0.82 RXFP1 (0.76) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL5453267 0.82 RXFP1 (0.76) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL3102501 0.82 RXFP1 (0.76) MAPTALDH1A1KDM4EGAALMNA
Ammonia Solution, Strong SCHEMBL28931345 0.81 RXFP1 (0.74) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL5329456 0.80 ALDH1A1 (0.67) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL12726993 0.80 BCKDK (0.68) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL5584694 0.79 MAPK1 (0.70) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL18940219 0.79 PRNP (0.70) MAPTALDH1A1KDM4EGAALMNA

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
US-5863936-A HETEROCYCLIC ENZYME INHIBITORS AS ANTICANCER AGENTS GERON CORPORATION (US) 1999-01-26 US disclosed
US-5760062-A ANTICANCER AGENTS GERON CORPORATION (US) 1998-06-02 US disclosed
US-5703116-A TREATING CANCER GERON CORPORATION (US) 1997-12-30 US disclosed