SCHEMBL11086283

SCHEMBL11086283

NC(=O)CCC(C(N)=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.45
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EPHX1 P07099 4/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ OGG1 O15527 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ HTR2A P28223 1/20 0.35

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
SCHEMBL30179988 0.88 KMT2A (0.48) ALOX5KMT2AMEN1SMN1; SMN2EPHX1
SCHEMBL11080465 0.82 USP5 (0.42) SMN1; SMN2EPHX1
SCHEMBL11081110 0.82 EPHX1 (0.40) KMT2AEPHX1
SCHEMBL11082974 0.82 CYP2C9 (0.42) KMT2AMEN1EPHX1CYP1A2
SCHEMBL11080596 0.82 ALOX5 (0.46) ALOX5SMN1; SMN2EPHX1
SCHEMBL11073404 0.82 EPHX1 (0.40) EPHX1
SCHEMBL11077388 0.82 KMT2A (0.34) ALOX5KMT2AMEN1SMN1; SMN2EPHX1
SCHEMBL3353032 0.81 EPHX1 (0.59) ALOX5KMT2ASMN1; SMN2EPHX1CYP1A2
SCHEMBL28817047 0.81 EPHX1 (0.45) ALOX5KMT2AMEN1SMN1; SMN2EPHX1
SCHEMBL11073709 0.80 PARP1 (0.42) SMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 — — EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 — — US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 — — US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 — — EP disclosed
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