SCHEMBL14852007

SCHEMBL14852007

Clc1ccc2nnc(-c3ccc(Br)cc3)n2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.53
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 5/20 0.53
TSHR P16473 3/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
BRD4 O60885 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CREBBP Q92793 1/20 0.45
TNKS O95271 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
APAF1 O14727 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL32664934 0.86 ALDH1A1 (0.56) HPGDKDM4EHSD17B10TSHRHTT
SCHEMBL16456325 0.85 KDM4E (0.55) HPGDKDM4EHSD17B10TSHRHTT
SCHEMBL15365749 0.83 HSD17B10 (0.58) HPGDKDM4EHSD17B10TSHRHTT
SCHEMBL4784567 0.83 BRD4 (0.65) HPGDKDM4EHSD17B10HTTALDH1A1
SCHEMBL16455949 0.80 ALDH1A1 (0.50) HPGDKDM4EHSD17B10TSHRHTT
SCHEMBL15364821 0.80 ALDH1A1 (0.50) HPGDKDM4EHSD17B10TSHRHTT
SCHEMBL16456310 0.80 KDM4E (0.49) HPGDKDM4EHSD17B10TSHRHTT
SCHEMBL14765168 0.80 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2PIM1
SCHEMBL15364726 0.80 ALDH1A1 (0.66) HPGDKDM4EHSD17B10TSHRHTT
SCHEMBL32665254 0.79 ALDH1A1 (0.51) HPGDKDM4EHSD17B10TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed