SCHEMBL10444074

SCHEMBL10444074

C=C[CH]OC(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 2/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ TSHR P16473 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ EPHX1 P07099 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL4153167 0.86 TGM2 (0.57) TGM2SMN1; SMN2TSHRTP53EPHX1
SCHEMBL28219382 0.80 SMN1; SMN2 (0.52) TGM2SMN1; SMN2TSHRTP53EPHX1
SCHEMBL482921 0.78 NAPRT (0.52) TGM2SMN1; SMN2TSHRTP53EPHX1
SCHEMBL514783 0.75 SMN1; SMN2 (0.56) TGM2SMN1; SMN2TSHRTP53EPHX1
SCHEMBL2244779 0.74 SMN1; SMN2 (0.61) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL8827353 0.74 SMN1; SMN2 (0.61) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL25435697 0.74 SMN1; SMN2 (0.45) TGM2SMN1; SMN2TSHRTP53EPHX1
SCHEMBL514162 0.74 RAB9A (0.51) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL160077 0.74 NPC1 (0.54) TGM2SMN1; SMN2TSHRTP53HSD17B10
SCHEMBL3799021 0.74 RAB9A (0.57) SMN1; SMN2ALDH1A1HTTKMT2AKDM4E

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-0378167-A1 Disperse dye composition useful for dyeing or printing hydrophobic fiber materials SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-07-18 — — EP disclosed
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