SCHEMBL9313383

SCHEMBL9313383

CC1(C)CC(=O)Nc2cc(NC(=O)C=Cc3ccccc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TRPV1 Q8NER1 3/20 0.54
EGFR P00533 7/20 0.50
MMP1 P03956 6/20 0.50
MMP2 P08253 6/20 0.50
MMP9 P14780 6/20 0.50
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL9313377 1.00 MAPT (0.55) MAPTALDH1A1KDM4ETRPV1EGFR
SCHEMBL9312463 0.90 TRPV1 (0.56) TRPV1MMP1MMP2MMP9MAOB
SCHEMBL9312470 0.90 TRPV1 (0.56) TRPV1MMP1MMP2MMP9MAOB
SCHEMBL9314210 0.89 TRPV1 (0.53) MAPTALDH1A1KDM4ETRPV1MEN1
SCHEMBL9312264 0.88 NAMPT (0.49) NPC1RAB9A
SCHEMBL9313168 0.87 MAPT (0.55) MAPTALDH1A1KDM4ETRPV1EGFR
SCHEMBL9313174 0.87 MAPT (0.55) MAPTALDH1A1KDM4ETRPV1EGFR
SCHEMBL9312484 0.87 ALDH1A1 (0.59) MAPTALDH1A1TRPV1EGFRMMP1
SCHEMBL9312489 0.87 ALDH1A1 (0.59) MAPTALDH1A1TRPV1EGFRMMP1
SCHEMBL9312235 0.86 TRPV1 (0.52) MAPTALDH1A1KDM4ETRPV1MAOB

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
US-5373019-A Pharmaceutical lactam compositions for inhibition of erythrocyte and thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1994-12-13 US disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US disclosed