SCHEMBL8777973

SCHEMBL8777973

NC(=O)N(O)Cc1ccc2c(c1)CCN2Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.46
PTGER2 P43116 1/20 0.46
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ALOX5 P09917 10/20 0.42
EPHX2 P34913 8/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
KCNT1 Q5JUK3 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL9598347 0.94 HDAC1 (0.51) PTGER4PTGER2HDAC1HDAC6OPRM1
SCHEMBL4728528 0.88 ALOX5 (0.45) HDAC1HDAC6ALOX5EPHX2KCNT1
SCHEMBL9089073 0.87 HDAC1 (0.43) PTGER4HDAC1HDAC6ALOX5EPHX2
SCHEMBL9086492 0.87 BRD4 (0.47) HDAC1HDAC6KMT2AHDAC3CYP2C19
SCHEMBL9088287 0.87 PTGER4 (0.48) PTGER4PTGER2KMT2A
SCHEMBL9090221 0.85 SIRT2 (0.47) PTGER4HDAC1HDAC6HDAC3CYP2C19
SCHEMBL9088667 0.85 MEP1B (0.41) PTGER4PTGER2HDAC1HDAC6ALOX5
SCHEMBL5082657 0.85 PTGER4 (0.48) PTGER4PTGER2HDAC1HDAC6KMT2A
SCHEMBL9088999 0.84 KDM4E (0.45) PTGER4PTGER2ALOX5
SCHEMBL9597803 0.83 HDAC1 (0.57) HDAC1HDAC6ALOX5EPHX2KCNT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed
US-5541218-A Indolinyl N-hydroxyurea and N-hydroxamic acid derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-07-30 US disclosed
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 WO disclosed