SCHEMBL8889388

SCHEMBL8889388

Cc1cc(N(C)C)nc(Cl)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 5/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
XBP1 P17861 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 2/20 0.35

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
SCHEMBL11749660 0.81 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1KDM4EJAK2
SCHEMBL18704182 0.79 KDM4E (0.62) KMT2AMEN1KDM4EALDH1A1RECQL
SCHEMBL534956 0.77 L3MBTL1 (0.57) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL29496331 0.77 L3MBTL1 (0.57) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL318407 0.77 KDM4E (0.60) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL29420807 0.77 KDM4E (0.60) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5459183 0.77 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL11483348 0.74 L3MBTL1 (0.51) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL3639155 0.74 L3MBTL1 (0.54) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL3828701 0.74 L3MBTL1 (0.54) L3MBTL1KMT2AMEN1KDM4EALDH1A1

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-5620974-A ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-04-15 US disclosed
US-5366972-A 5,11-dihydro-6H-dipyrido(3,2-B:2',3'-E)(1,4)diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1994-11-22 US disclosed
US-4116965-A STYRYL DYESTUFFS CONTAINING CERTAIN AMINO, CYANOPYRIDINE MOIETIES CIBA-GEIGY CORPORATION (US) 1978-09-26 US disclosed