SCHEMBL2643844

SCHEMBL2643844

c1ccc(-c2cccc(-n3cnc4cc(-c5ccco5)ccc43)c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.53
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPP1CA P62136 1/20 0.44
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KDR P35968 1/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.40

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
SCHEMBL2646102 0.83 GABRA1 (0.52) GRM5MAPTKMT2AALDH1A1NPC1
SCHEMBL7819811 0.80 FGFR1 (0.41) GRM5MAPTALDH1A1NPC1RAB9A
SCHEMBL7832246 0.80 ALDH1A1 (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7831038 0.79 CYP1A2 (0.46) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL2647554 0.78 CYP1A2 (0.46) GRM5MAPTKMT2ANPSR1CYP1A2
SCHEMBL7828544 0.78 ALDH1A1 (0.42) MAPTKMT2ANPSR1ALDH1A1NPC1
SCHEMBL7820174 0.78 KDR (0.42) GRM5MAPTALDH1A1NPC1RAB9A
SCHEMBL2651927 0.76 PRKCI (0.47) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL2650727 0.75 FGFR1 (0.68) GRM5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2643520 0.72 KDR (0.38) MAPTKMT2ANPSR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP claimed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US claimed
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed