SCHEMBL8040113

SCHEMBL8040113

ClC(Cl)(Cl)c1cc(Cc2ccccc2)nnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAOB P27338 1/20 0.41
CALM1 P0DP23 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTR2C P28335 1/20 0.36
POLB P06746 1/20 0.36
DAO P14920 1/20 0.35
BRD4 O60885 3/20 0.35
KCNMA1 Q12791 2/20 0.35
HMGCR P04035 1/20 0.34
HTR2B P41595 1/20 0.33
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL30262872 0.71 CYP3A4 (0.33) TSHR
SCHEMBL132209 0.66 ALDH1A1 (0.50) ALDH1A1MAOBCALM1RAB9ASMN1; SMN2
SCHEMBL1307703 0.66 ALDH1A1 (0.46) ALDH1A1MAOBCALM1RAB9ASMN1; SMN2
Diphenylmethane SCHEMBL27940463 0.63 CALM1 (0.80) CALM1DAOBCL2BCL2L1
SCHEMBL21341308 0.62 HMGCR (0.49) ALDH1A1CALM1RAB9ASMN1; SMN2TDP1
SCHEMBL415622 0.62 CALM1 (0.50) ALDH1A1MAOBCALM1RAB9ASMN1; SMN2
SCHEMBL10664800 0.62 TSHR (0.59) ALDH1A1CALM1SMN1; SMN2TSHRBCL2
SCHEMBL29140964 0.62
SCHEMBL7124257 0.62 ALDH1A1 (1.00) ALDH1A1MAOBCALM1RAB9ASMN1; SMN2
SCHEMBL27072915 0.61 CALM1 (0.55) ALDH1A1MAOBCALM1RAB9ASMN1; SMN2

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-6010824-A Photosensitive resin composition containing a triazine compound and a pre-sensitized plate using the same, and photosensitive resin composition containing acridine and triazine compounds and a color filter and a pre-sensitized plate using the same TOKYO OHKA KOGYO CO., LTD. (JP) 2000-01-04 US disclosed