SCHEMBL9830640

SCHEMBL9830640

Nc1csc(-c2ccccc2O)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.60
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 2/20 0.53
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 3/20 0.42
ADORA2A P29274 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
PIM1 P11309 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1194033 0.78 RAB9A (0.80) HTR2BSMN1; SMN2RAB9ACASP3SENP8
SCHEMBL9830414 0.77 ATP4A (0.44) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL2048608 0.77 HTR2B (0.57) HTR2BSMN1; SMN2RAB9ACASP3SENP8
SCHEMBL10512375 0.77 CYP19A1 (0.44) HTR2BRAB9ACYP19A1ALDH1A1ALOX15
SCHEMBL9830320 0.76 HTR2C (0.45) CYP19A1ALDH1A1ALOX15TSHRMAPT
SCHEMBL3180259 0.75 HTR2B (0.50) HTR2BSMN1; SMN2RAB9AALDH1A1TSHR
Hydrochloric Acid SCHEMBL888552 0.75 CYP19A1 (0.43) HTR2BRAB9ACYP19A1ALDH1A1ALOX15
Pulicatins F SCHEMBL12469099 0.75 HTR2B (1.00) HTR2BSMN1; SMN2RAB9ACASP3SENP8
SCHEMBL15423067 0.75 HTR2B (0.71) HTR2BSMN1; SMN2RAB9ACASP3SENP8
SCHEMBL21883091 0.74 HTR2B (0.54) HTR2BSMN1; SMN2RAB9ACASP3SENP8

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