SCHEMBL7705319

SCHEMBL7705319

COc1ccccc1C1(C)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
MGAT2 Q10469 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL7713927 0.79 HCAR2 (0.38) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7711516 0.74 MMP2 (0.39) ALDH1A1KDM4EMAPTMGAT2LMNA
SCHEMBL7708684 0.71 HCAR2 (0.42) KMT2AALDH1A1KDM4EMAPTSIGMAR1
SCHEMBL7711510 0.68 MCL1 (0.36) KMT2AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7712066 0.68 CA1 (0.36) KMT2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7708718 0.68 OPRM1 (0.39) KMT2ADDB1CRBNCA1CA2
SCHEMBL7708734 0.67 MGAT2 (0.38) ALDH1A1MAPTMGAT2DDB1CRBN
SCHEMBL7708737 0.67 MEN1 (0.40) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL7711634 0.66 KMT2A (0.37) KMT2AALDH1A1KDM4EMGAT2LMNA
SCHEMBL7708743 0.65 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA

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