Chlorobenzene

Chlorobenzene

SCHEMBL28283079

Clc1ccccc1.Clc1nc2ccccc2s1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.56
▸ PTGS1 P23219 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ CASR P41180 1/20 0.51
▸ MAPT P10636 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HPGD P15428 3/20 0.47
▸ ADRA2A P08913 1/20 0.47

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
SCHEMBL76778 0.92 ALDH1A1 (0.54) FBP1PTGS1PTGS2CASRMAPT
SCHEMBL10668295 0.90 ALDH1A1 (0.52) FBP1PTGS1PTGS2CASRMAPT
Hydrochloric Acid SCHEMBL2283945 0.90 ALDH1A1 (0.52) FBP1PTGS1PTGS2CASRMAPT
2-Mercaptobenzothiazole SCHEMBL11333969 0.81 FBP1 (0.49) FBP1PTGS1PTGS2CASRMAPT
SCHEMBL6247403 0.81 CASR (0.45) FBP1PTGS1PTGS2CASRMAPT
SCHEMBL3007676 0.77 RAB9A (0.69) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8971386 0.77 SMN1; SMN2 (0.49) FBP1PTGS1PTGS2CASRMAPT
SCHEMBL30066934 0.76 FBP1 (0.40) FBP1PTGS1PTGS2CASRMAPT
Oxazole SCHEMBL28355211 0.75 NPC1 (0.42) FBP1PTGS1PTGS2CASRMAPT
SCHEMBL31038096 0.73 FBP1 (0.74) FBP1PTGS1PTGS2MAPTTDP1

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
CN-109456282-A A kind of synthetic method of 2- chloro benzothiazole 江苏快达农化股份有限公司 2019-03-12 — — CN disclosed
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