SCHEMBL9830768

SCHEMBL9830768

CC(C)(C)c1ccc(-c2nc(N)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
KDM4E B2RXH2 2/20 0.53
KIF11 P52732 1/20 0.46
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
TP53 P04637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MITF O75030 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
IKBKB O14920 2/20 0.40
MAPT P10636 3/20 0.39
DGAT1 O75907 1/20 0.39
HTT P42858 2/20 0.39
GFER P55789 1/20 0.38
HPGD P15428 3/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21682855 0.82 LTA4H (0.53) NPC1KDM4EKIF11TP53ALDH1A1
SCHEMBL12622638 0.80 KIF11 (0.47) NPC1RAB9AKDM4EKIF11TNF
SCHEMBL9831572 0.79 SMN1; SMN2 (0.56) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL20390901 0.79 CYP19A1 (0.47) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL15071935 0.77 CDC25A (0.40) NPC1RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL13622940 0.76 RAB9A (0.58) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL4899431 0.76 TP53 (0.55) NPC1RAB9AKDM4ETNFNOD1
SCHEMBL20390848 0.76 GFER (0.37) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL20390377 0.76 GFER (0.37) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL13145486 0.76 SMN1; SMN2 (0.56) NPC1RAB9AKDM4EALDH1A1KMT2A

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 2 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