SCHEMBL9831310

SCHEMBL9831310

O=C(Nc1csc(-c2ccc3ccccc3n2)n1)c1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.40
NPC1 O15118 12/20 0.40
SMN1; SMN2 Q16637 5/20 0.37
TP53 P04637 3/20 0.37
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9832310 0.82 MAPT (0.40) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL9830880 0.81 CDK5 (0.52) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9830397 0.79 HTR2B (0.45) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL9823352 0.79 TDP1 (0.42) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL9831314 0.78 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9831082 0.77 CCNA2 (0.49) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9832086 0.76 KDM4E (0.48) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL9829838 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL9829473 0.75 KDM4E (0.42) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL9833230 0.75 DDX3X (0.47) RAB9ANPC1KMT2APOLBMEN1

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