SCHEMBL21236770

SCHEMBL21236770

C=C/C=c1/ccc(OC#N)c(-c2c(OC#N)ccc3ccccc23)/c1=C/C=C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
SLC22A12 Q96S37 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 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
SCHEMBL30337147 0.81 MAPT (0.57) MAPTSLC22A12MEN1KMT2ACYP1A2
SCHEMBL7724729 0.81 MAPT (0.57) MAPTSLC22A12MEN1KMT2ACYP1A2
SCHEMBL21414025 0.75 CYP2A6 (0.42) MAPTCYP1A2HPGD
SCHEMBL3111062 0.68 MAPT (0.57) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL17787362 0.68 MAPT (0.41) MAPTSLC22A12MEN1KMT2ACYP1A2
SCHEMBL1325259 0.67 MAPT (0.41) MAPTSLC22A12CYP1A2CYP2C9CYP2C19
SCHEMBL21808830 0.67 CYP1A2 (0.51) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL27498748 0.66 NCEH1 (0.49) MAPTSLC22A12MEN1KMT2ACYP1A2
SCHEMBL7106897 0.66 PTPN22 (0.48) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL7719474 0.64 HSD17B10 (0.47) MAPTMEN1KMT2ACYP1A2CYP2C9

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-3214104-B1 CYANIC ACID ESTER COMPOUND, METHOD FOR PRODUCING SAME, RESIN COMPOSITION AND CURED PRODUCT MITSUBISHI GAS CHEMICAL CO (JP) 2019-08-07 EP disclosed