SCHEMBL11298505

SCHEMBL11298505

CC(CSc1ccccc1N)c1c(C(=O)O)ccc(C(=O)O)c1C(C)CSc1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 4/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL11297209 0.80 MAPT (0.49) POLBRAB9AKDM4EKMT2AALDH1A1
SCHEMBL11292807 0.80 MAPT (0.49) POLBRAB9AKDM4EKMT2AALDH1A1
SCHEMBL11293928 0.79 KDM4E (0.43) HSD17B10CYP1A2POLBCA12CA1
SCHEMBL11301378 0.75 POLB (0.48) HSD17B10CYP1A2POLBCA12CA1
SCHEMBL11297227 0.73 POLB (0.55) HSD17B10CYP1A2POLBCA12CA1
SCHEMBL11301366 0.72 POLB (0.41) HSD17B10CYP1A2POLBCA12CA1
SCHEMBL11097562 0.72 KMT2A (0.48) HSD17B10CYP1A2POLBRAB9AKDM4E
SCHEMBL3802466 0.71 KMT2A (0.52) HSD17B10CYP1A2POLBRAB9AKDM4E
SCHEMBL20505216 0.71 CYP1A2 (0.61) HSD17B10CYP1A2POLBCA12CA1
SCHEMBL5729277 0.71 KIF11 (0.49) HSD17B10POLB

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
US-4342859-A Bis(aminophenylthioalkyl)terephthalate and hardener for polyurethane elastomer thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-03 — — US disclosed
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