SCHEMBL11375823

SCHEMBL11375823

Clc1ccc(N=C2NCCN2)c(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
F7 P08709 1/20 0.31
PARP1 P09874 1/20 0.31
F3 P13726 1/20 0.31
PARP10 Q53GL7 1/20 0.31
AMY1A P0DUB6 1/20 0.31
PNMT P11086 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
SCHEMBL11373470 0.81 AHR (0.35) AHRPARP1PARP10PNMT
SCHEMBL5157866 0.81 ITGB3 (0.40) AHRHTR2AHTR2CHTR2BTSHR
SCHEMBL10689485 0.79 ALDH1A1 (0.46) AHRHTR2AHTR2CHTR2BTSHR
SCHEMBL5157568 0.78 HPGD (0.47) AHRHTR2AHTR2CHTR2BTSHR
SCHEMBL11372940 0.75 HTT (0.33) AHRHTTPARP1PARP10PNMT
SCHEMBL4716261 0.75 ALDH1A1 (0.42) AHRHTR2AHTR2CHTR2B
SCHEMBL6633708 0.75 NISCH (0.32)
SCHEMBL11371070 0.75 TAAR1 (0.34) HTR2AHTR2CHTR2BHTTF7
SCHEMBL11367564 0.75 RAB9A (0.40) HTT
Bromide SCHEMBL11354140 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4262005-A CONTROLLING ECTOPARASITES WHICH ATTACK CATTLE AND PIGS THE BOOTS COMPANY LIMITED (GB) 1981-04-14 US disclosed