SCHEMBL6587615

SCHEMBL6587615

O=C(Nc1cccc(-c2n[nH]cc2CBr)c1)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CLK1 P49759 1/20 0.57
MAPT P10636 7/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
TTK P33981 2/20 0.48

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
SCHEMBL1977571 0.82 NPC1 (0.56) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL6587561 0.79 BCHE (0.51) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6590589 0.78 ALDH1A1 (0.40) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL6585342 0.78 NR2E3 (0.52) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6587613 0.76 MAPT (0.57) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL29684484 0.76 MAPT (0.60) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL6588599 0.76 NPC1 (0.55) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL6590235 0.76 CNR1 (0.57)
SCHEMBL10272626 0.75 RAB9A (0.48) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL29684351 0.74 KCNK3 (0.74) NPC1RAB9ACLK1MAPTMEN1

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-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed