SCHEMBL2490933

SCHEMBL2490933

Cc1c(C#N)[nH]c(C=O)c1C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 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
SCHEMBL9738010 0.82 ALDH1A1 (0.31) KMT2AALDH1A1POLB
SCHEMBL2491769 0.75 ALDH1A1 (0.36) KMT2AALDH1A1POLB
SCHEMBL11900309 0.74 KDM4E (0.36) ALDH1A1KDM4EMAPT
SCHEMBL1802370 0.72 SMN1; SMN2 (0.38) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL10810611 0.71 ALDH1A1 (0.34) KMT2AALDH1A1POLB
SCHEMBL18190428 0.65 ALDH1A1 (0.32) KMT2AALDH1A1POLB
SCHEMBL29958173 0.65 KDM4E (0.37) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL3281908 0.63 MAPK1 (0.34) KMT2AALDH1A1MEN1MAPT
SCHEMBL4614413 0.63 CYP1A2 (0.53) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL8431269 0.63 KDM4E (0.34) KMT2AALDH1A1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed