SCHEMBL9179705

SCHEMBL9179705

N#CCc1nc(-c2ccccc2)n(C#N)c1CC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ATP4A P20648 5/20 0.36
ATP4B P51164 5/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
MAT2A P31153 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL11302663 0.76 ATP4A (0.36) KMT2AMEN1ATP4AATP4BLMNA
SCHEMBL11099962 0.69 ALDH1A1 (0.49) KMT2AMEN1LMNAMAPK1TSHR
SCHEMBL10989399 0.67 KDM4E (0.50) KMT2AMEN1LMNACYP1A2CYP2D6
SCHEMBL11401906 0.66 CASR (0.47) KMT2AMEN1ATP4AATP4BLMNA
SCHEMBL11166790 0.66 ALDH1A1 (0.49) KMT2AMEN1ATP4AATP4BLMNA
SCHEMBL2980371 0.64 KDM4E (0.59) KMT2AMEN1LMNAMAPK1CYP1A2
Mefenidil SCHEMBL6214486 0.64 PIN1 (0.47) LMNACYP1A2CYP2C9KDM4EMAPT
SCHEMBL2227911 0.64 PDE10A (0.45) KMT2AMEN1LMNAABCB1ABCG2
SCHEMBL30337123 0.62 NLRP3 (0.42) KMT2AMEN1CYP1A2CYP2C9HDAC6
SCHEMBL28606764 0.62 NLRP3 (0.42) KMT2AMEN1CYP1A2CYP2C9HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526975-B1 Coating composition for optical plastic moldings ITOH OPTICAL IND (JP) 1995-07-26 EP disclosed
US-5322888-A Curable mixture of hydrolyzable silicate, epoxy-containing silane, dicarboxylic acid or anhydride, and imidazole catalyst; protective coating for optical substrate having a high refractive index; radiation resistance ITOH OPTICAL INDUSTRIAL CO., LTD. (JP) 1994-06-21 US disclosed
EP-0526975-A2 Coating composition for optical plastic moldings ITOH OPTICAL INDUSTRIAL CO., LTD. (JP) 1993-02-10 EP disclosed