SCHEMBL9239066

SCHEMBL9239066

N#C/C(C(=O)Nc1ccc2cc3ccccc3cc2c1)=C(/O)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.59
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ F2 P00734 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ HTR1E P28566 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ G6PD P11413 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41

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
SCHEMBL9238362 1.00 DHODH (0.59) DHODHMAPTNPC1RAB9AMEN1
SCHEMBL8614000 0.82 DHODH (0.68) DHODHMAPTNPC1RAB9AMEN1
SCHEMBL8615187 0.82 DHODH (0.68) DHODHMAPTNPC1RAB9AMEN1
SCHEMBL9157076 0.81 DHODH (0.64) DHODHMAPTNPC1RAB9AMEN1
SCHEMBL9233110 0.80 DHODH (0.56) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL15196662 0.80 DHODH (0.62) DHODHMAPTNPC1RAB9AMEN1
SCHEMBL8620911 0.79 DHODH (0.64) DHODHMAPTNPC1RAB9AMEN1
SCHEMBL9129374 0.79 DHODH (0.64) DHODHMAPTNPC1RAB9AMEN1
SCHEMBL18118641 0.78 DHODH (0.70) DHODHMAPTNPC1RAB9AMEN1
SCHEMBL16741993 0.78 DHODH (0.70) DHODHMAPTNPC1RAB9AMEN1

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-0652214-A1 N-Aryl-2-cyano-3-hydroxy propenamide derivatives, a method for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-05-10 — — EP disclosed
Send feedback