SCHEMBL9826832

SCHEMBL9826832

COc1ccsc1C(=O)Nc1nnn[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
F10 P00742 1/20 0.42
KDM4E B2RXH2 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 3/20 0.39
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
PPARG P37231 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPK10 P53779 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL9826140 0.83 ALDH1A1 (0.40) KMT2AMEN1F10KDM4EPOLB
SCHEMBL9826553 0.81 KDR (0.46) KMT2AMEN1KDM4EPOLBMAPT
SCHEMBL9826579 0.81 SMN1; SMN2 (0.36) KMT2AMEN1POLBMAPTLMNA
SCHEMBL9826535 0.76 NPC1 (0.37) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL11111705 0.76 RAB9A (0.57) KMT2AMEN1MAPTGAARAB9A
SCHEMBL9825641 0.75 HPGD (0.44) KMT2AMEN1KDM4EPOLBMAPT
SCHEMBL11105633 0.74 ALPL (0.63) KMT2AMEN1KDM4EPOLBMAPT
SCHEMBL10933029 0.74 BRD4 (0.46) KMT2AMEN1KDM4EGAARAB9A
SCHEMBL6808610 0.73 STING1 (0.51) KMT2AMEN1F10KDM4EMAPT
SCHEMBL11562864 0.73 KLKB1 (0.53) KMT2AMEN1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP claimed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US claimed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP claimed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed