SCHEMBL9830803

SCHEMBL9830803

Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnn[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HPGD P15428 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
NPC1 O15118 2/20 0.57
POLB P06746 2/20 0.55
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
PARP1 P09874 1/20 0.50
CNR1 P21554 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL9830987 0.91 GAA (0.54) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL9832642 0.88 SMN1; SMN2 (0.64) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL9831938 0.87 PPARA (0.49) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL9832312 0.86 ROCK1 (0.51) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL9829467 0.83 ROCK1 (0.42) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL9831974 0.81 DDX3X (0.44) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL9832252 0.80 MAPT (0.43) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL9833487 0.79 ALDH1A1 (0.49) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL13407796 0.78 ALDH1A1 (1.00) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL9833422 0.77 ALOX5 (0.50) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2

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
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed