SCHEMBL6213422

SCHEMBL6213422

CCn1c(CNc2ccc(C)cc2)nnc1C(S)C(=O)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ ACHE P22303 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HTT P42858 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ SLC27A1 Q6PCB7 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL6209311 0.78 ALDH1A1 (0.62) ALDH1A1MAPK1CYP2C19TSHRCYP2D6
SCHEMBL1320997 0.62 BCHE (1.00) BCHEALDH1A1MAPK1CYP2C19TSHR
SCHEMBL29548285 0.62 BCHE (1.00) BCHEALDH1A1MAPK1CYP2C19TSHR
Hydrochloric Acid SCHEMBL159034 0.61 ACHE (1.00) BCHEALDH1A1MAPK1CYP2C19TSHR
Hydrochloric Acid SCHEMBL30259425 0.61 ACHE (1.00) BCHEALDH1A1MAPK1CYP2C19TSHR
SCHEMBL15557154 0.60 BCHE (0.65) BCHECYP2C19TSHRCYP2D6ACHE
SCHEMBL28621728 0.60 BCHE (1.00) BCHEACHELMNA
SCHEMBL4780245 0.58 BCHE (0.70) BCHEACHEMAPTGAA
SCHEMBL4215730 0.58 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRNPSR1HTT
SCHEMBL11618902 0.58 BCHE (0.67) BCHECYP2C19TSHRCYP2D6ACHE

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
EP-1553179-A1 MOUSE-ORIGIN PROTEINS FORMING DOMAIN OR USE THEREOF Riken (JP) 2005-07-13 — — EP claimed
Send feedback