SCHEMBL7711510

SCHEMBL7711510

CC1(c2ccc[nH]2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
PDPK1 O15530 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7711516 0.75 MMP2 (0.39) ALDH1A1
SCHEMBL7708734 0.70 MGAT2 (0.38) ALDH1A1
SCHEMBL7713927 0.70 HCAR2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7711504 0.70 MMP2 (0.39) MCL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL7708737 0.70 MEN1 (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7712056 0.69 MMP2 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL7711634 0.69 KMT2A (0.37) ALDH1A1KMT2A
SCHEMBL7713918 0.69 KMT2A (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7708743 0.68 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL7708718 0.68 OPRM1 (0.39) NPC1RAB9AKMT2A

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
US-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed