SCHEMBL11205461

SCHEMBL11205461

COc1cc[c]c(-c2ccc(I)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.39
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
GSTP1 P09211 1/20 0.33
EGFR P00533 1/20 0.33
MAOB P27338 2/20 0.32
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL459934 0.87 CA12 (0.44) APPHSD17B1HSD17B2GSTP1EGFR
SCHEMBL5622659 0.84 ACHE (0.45) HSD17B1HSD17B2EGFRMAOBNPC1
SCHEMBL3262111 0.82 ESR2 (0.52) APPABL1ABCB1BCRNPC1
SCHEMBL10918406 0.82 CYP11B1 (0.44) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL6841236 0.82 MEN1 (0.38) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL4468568 0.82 MEN1 (0.40) HSD17B1HSD17B2MAOBTP53MAPK1
SCHEMBL8327622 0.82 MAOB (0.43) APPMAPK14MAOBNPC1TP53
SCHEMBL7033071 0.81 CA4 (0.43) ABCB1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL15066961 0.80 ALDH1A1 (0.41) HSD17B1HSD17B2SMN1; SMN2CA12CA1
SCHEMBL8529256 0.79 CYP1A1 (0.45) HSD17B1HSD17B2ABL1ABCB1BCR

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
EP-0089137-A1 Substituted pyridazines, their use as plant growth regulators, and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1983-09-21 EP disclosed