SCHEMBL9558331

SCHEMBL9558331

Clc1cc(-c2ccccc2)cn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.40
TET1 Q8NFU7 1/20 0.40
CYP1A2 P05177 1/20 0.39
SRC P12931 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.38
COMT P21964 2/20 0.37
MAPK1 P28482 1/20 0.37
FAAH O00519 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
MGLL Q99685 1/20 0.36
FGFR1 P11362 1/20 0.36
ENPP2 Q13822 1/20 0.36
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
ABL2 P42684 1/20 0.35

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
SCHEMBL4794282 0.78 COMT (0.50) RAB9AALDH1A1COMTFAAHHSP90AA1
SCHEMBL18947280 0.75 COMT (0.53) CYP1A2RAB9AALDH1A1COMTFAAH
SCHEMBL10021078 0.67 ALDH1A1 (0.60) CYP1A2SRCRAB9AALDH1A1COMT
Biphenyl SCHEMBL547965 0.65 ALDH1A1 (0.90) CYP1A2RAB9AALDH1A1MAPK1HTT
Biphenyl SCHEMBL21647236 0.65 ALDH1A1 (0.90) CYP1A2RAB9AALDH1A1MAPK1HTT
Biphenyl SCHEMBL5068276 0.65 ALDH1A1 (0.90) CYP1A2RAB9AALDH1A1MAPK1ATM
Biphenyl SCHEMBL9388941 0.61 ALDH1A1 (0.82) CYP1A2RAB9AALDH1A1MAPK1ATM
Biphenyl SCHEMBL2972551 0.61 ALDH1A1 (0.82) CYP1A2RAB9AALDH1A1MAPK1HTT
Biphenyl SCHEMBL27571804 0.61 ALDH1A1 (0.82) CYP1A2RAB9AALDH1A1MAPK1ATM
Biphenyl SCHEMBL2548048 0.61 ALDH1A1 (1.00) CYP1A2RAB9AALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254713-A 2- and 3-chloropyrroles and process for preparing the same NIHON BAYER AGROCHEM K.K. (JP) 1993-10-19 US disclosed
US-5210218-A 2- and 3-chloropyrroles and process for preparing the same NIHON BAYER AGROCHEM K.K. (JP) 1993-05-11 US disclosed