SCHEMBL4657240

SCHEMBL4657240

Nc1cc(-c2ccccc2)c2cccc(Cl)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
DHODH Q02127 1/20 0.42
BCHE P06276 1/20 0.41
CYP2A6 P11509 2/20 0.41
ACHE P22303 2/20 0.41
MAP4K4 O95819 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
CSF1R P07333 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL4659565 0.89 NR4A2 (0.46) NR4A2DHODHBCHEACHEBACE1
SCHEMBL17827042 0.83 ACACA (0.47) NR4A2ADORA2AAURKBBACE1ENPP1
SCHEMBL22405969 0.83 ADORA2A (0.46) ACHEADORA2AADORA1SMARCA2SMARCA4
SCHEMBL28046875 0.81 NR4A2 (0.59) NR4A2DHODHCYP2A6ADORA1KDM4E
SCHEMBL13906866 0.79 NR4A2 (0.56) NR4A2CYP2A6ACHEMAP4K4CSF1R
SCHEMBL2319415 0.75 BACE1 (0.58) ACHEADORA2AADORA1BACE1KDM4E
SCHEMBL14281086 0.74 KDM4E (0.48) NR4A2ADORA2AADORA1BACE1KDM4E
SCHEMBL13321749 0.73 CDK5 (0.48) ADORA2AADORA1FGFR1CDK5
SCHEMBL4367770 0.73 TOP2A (0.41) MAP4K4ADORA2AADORA1CSF1RFGFR1
SCHEMBL497480 0.72 MAPK1 (0.61) AURKBBACE1KDM4EMEN1ALDH1A1

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
EP-1999112-B1 SUBSTITUTED 2-AMINO-4-PHENYL-DIHYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM SANOFI SA (FR) 2015-04-22 EP disclosed
EP-1999112-A2 SUBSTITUTED 2-AMINO-4-PHENYL-D HYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM Sanofi-Aventis (FR) 2008-12-10 EP disclosed
WO-2007107246-A2 SUBSTITUTED 2-AMINO-4-PHENYL-DιHYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (DE) 2007-09-27 WO disclosed