SCHEMBL7943798

SCHEMBL7943798

Cc1cc(C)c2c(c1)/C(=C\C#N)CCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
UGT2B17 O75795 2/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TYMS P04818 1/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7943800 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL14065573 0.75 RXRA (0.44) SMN1; SMN2ALDH1A1MAPT
SCHEMBL31028056 0.75 CYP19A1 (0.33) SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL7951405 0.73 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7951403 0.73 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6783870 0.72 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7647664 0.71 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6783536 0.71 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL31028060 0.68 CYP19A1 (0.49) ALDH1A1TYMS
SCHEMBL31028079 0.68 CYP19A1 (0.53) TYMS

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
US-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed