SCHEMBL7220247

SCHEMBL7220247

Clc1cccc(-n2cn[c]n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
NFKB1 P19838 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 3/20 0.36
ALOX5 P09917 2/20 0.36
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL7222952 0.67 NOTUM (0.48) MAPTRAB9AKDM4E
SCHEMBL31517328 0.67 ALDH1A1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11190429 0.67 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31138185 0.67 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3510845 0.66 NOTUM (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL796144 0.65 NOTUM (0.43) ALDH1A1TSHRALOX15CYP3A4L3MBTL1
SCHEMBL23706216 0.64 MAPT (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29218233 0.64 MAPT (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL24934039 0.64 MAPT (0.76) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30041902 0.64 MAPT (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C

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-6605631-B1 Controlling fungi and pests; improved activity and plant tolerability BASF AKTIENGESELLSCHAFT (DE) 2003-08-12 US disclosed