SCHEMBL9230200

SCHEMBL9230200

ONC1C=C(c2cccc(Sc3ccc(F)cc3)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL9226766 0.88 MGLL (0.34) MGLLMEN1KMT2AALDH1A1NPSR1
SCHEMBL9080926 0.78 ALOX5 (0.36) MGLLKDM4C
SCHEMBL8706885 0.78 CCNT1 (0.40)
SCHEMBL8421419 0.72
SCHEMBL9081519 0.71 ALOX5 (0.38) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL9081691 0.70 MEN1 (0.33) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL9081715 0.69 L3MBTL1 (0.39) MGLLMEN1KMT2AALDH1A1NPSR1
SCHEMBL9081711 0.69 MEN1 (0.31) MEN1KMT2AALDH1A1NPSR1
SCHEMBL9081708 0.69 MEN1 (0.31) MEN1KMT2AALDH1A1NPSR1
SCHEMBL9080255 0.69 L3MBTL1 (0.40) MGLLMEN1KMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736006-A1 PHENYLTHIOPHENYL CYCLOALKENYL HYDROXYUREAS AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-10-09 EP disclosed
WO-1995017379-A1 PHENYLTHIOPHENYL CYCLOALKENYL HYDROXYUREAS AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1995-06-29 WO disclosed