SCHEMBL9373876

SCHEMBL9373876

Cc1[nH]c(C)c(Cc2ccccc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ TYMP P19971 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ ALKBH3 Q96Q83 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ KAT8 Q9H7Z6 1/20 0.38

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
SCHEMBL5665346 0.78 KDM4E (0.48) KDM4ETYMPALDH1A1IDH1ALKBH3
SCHEMBL28313729 0.77 CALM1 (0.58) CALM1POLBATMKDM4EMAPT
SCHEMBL23718486 0.76 NR3C1 (0.37) RAB9APOLBATMKDM4EMAPT
SCHEMBL9190942 0.75 CALM1 (0.55) CALM1POLBATMKDM4EMAPT
SCHEMBL6920607 0.75 MAPT (0.61) POLBKDM4EMAPTNPSR1GAA
SCHEMBL20828256 0.73 TYMP (0.65) KDM4ETYMPALDH1A1DAO
SCHEMBL10692060 0.72 KAT8 (0.46) RAB9AKDM4ETYMPMAPTSTAT1
SCHEMBL9454876 0.72 PTGS2 (0.44) KDM4ETYMPMAPTGAAALDH1A1
SCHEMBL5663531 0.72 TNKS2 (0.49) POLBKDM4ETYMPALDH1A1IDH1
SCHEMBL2820256 0.71 CALM1 (0.73) CALM1KDM4ETYMPMAPTALDH1A1

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-0609328-A1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-08-10 — — EP disclosed
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