SCHEMBL10065751

SCHEMBL10065751

CC(C)=CC(C(=O)Nc1ccc(C#N)cc1)=C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
NLRP3 Q96P20 1/20 0.46
KDM1A O60341 1/20 0.46
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
IL18 Q14116 1/20 0.45
IDO1 P14902 2/20 0.45
ALDH1A1 P00352 3/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL201980 0.76 RXFP1 (0.57) MAPTLMNATSHRHTTNLRP3
SCHEMBL1344408 0.75 KDM1A (0.71) MAPTLMNATSHRHTTNLRP3
SCHEMBL10037166 0.73 GPR35 (0.67) MAPTLMNATSHRHTTNLRP3
SCHEMBL10065739 0.73 MGLL (0.46) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL21138401 0.72 MAPT (0.56) MAPTLMNATSHRHTTNLRP3
SCHEMBL9364633 0.71 SAE1 (0.54) MAPTLMNATSHRHTTNLRP3
SCHEMBL11054945 0.70 MAPT (0.81) MAPTLMNATSHRHTTNLRP3
SCHEMBL20941664 0.70 MAPT (0.54) MAPTLMNATSHRHTTNLRP3
SCHEMBL13235766 0.70 SMN1; SMN2 (0.70) MAPTLMNATSHRHTTNLRP3
SCHEMBL12669290 0.70 KDM1A (0.60) MAPTLMNATSHRHTTNLRP3

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-20120009385-A1 RESIN COMPLEX AND LAMINATE FUJIFILM CORPORATION (JP) 2012-01-12 US disclosed