SCHEMBL30729947

SCHEMBL30729947

Nc1ccc(OCc2ncc(F)s2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
SYK P43405 1/20 0.38
HPGD P15428 4/20 0.35
TSHR P16473 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 5/20 0.34
ERBB2 P04626 4/20 0.34
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL27097024 1.00 MRGPRX4 (0.40) MRGPRX4SYKHPGDTSHRALDH1A1
SCHEMBL23538009 0.83 HPGD (0.40) MRGPRX4SYKHPGDTSHRALDH1A1
SCHEMBL27097014 0.78 MAPT (0.51) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL23537751 0.75 HPGD (0.49) MRGPRX4SYKHPGDTSHRALDH1A1
SCHEMBL2986980 0.74 EGFR (0.44) MRGPRX4SYKHPGDTSHRALDH1A1
SCHEMBL23537705 0.73 L3MBTL1 (0.51) MRGPRX4SYKHPGDTSHRALDH1A1
SCHEMBL3320471 0.72 MAOB (0.56) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31193398 0.72 MAOB (0.56) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL34472753 0.70 CYP3A4 (0.46) MRGPRX4SYKHPGDTSHRALDH1A1
SCHEMBL27897847 0.70 CYP3A4 (0.46) MRGPRX4SYKHPGDTSHRALDH1A1

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-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed