SCHEMBL11640258

SCHEMBL11640258

Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
CYP2A6 P11509 1/20 0.44
LMNA P02545 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL63728 0.84 HSD11B1 (0.49) HSD11B1CYP2A6LMNANPC1RAB9A
SCHEMBL29732755 0.84 HSD11B1 (0.49) HSD11B1CYP2A6LMNANPC1RAB9A
SCHEMBL11635736 0.83 HSD11B1 (0.47) HSD11B1CYP2A6LMNANPC1RAB9A
SCHEMBL28949240 0.81 LMNA (0.56) HSD11B1CYP2A6LMNANPC1RAB9A
SCHEMBL22507458 0.79 BCHE (0.47) HSD11B1CYP2A6LMNANPC1RAB9A
SCHEMBL4622519 0.76 HSD11B1 (0.41) HSD11B1CYP2A6LMNANPC1RAB9A
SCHEMBL18722090 0.76 SMN1; SMN2 (0.48) HSD11B1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL274962 0.75 HSD11B1 (0.58) HSD11B1CYP2A6SMN1; SMN2PTGS1PTGS2
SCHEMBL3246792 0.75 BCHE (0.46) HSD11B1CYP2A6LMNANPC1RAB9A
SCHEMBL10071744 0.74 BCHE (0.54) HSD11B1SMN1; SMN2PTGS1PTGS2BCHE

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-4078934-A Photosensitive, image-forming composition containing a leuco 2,3-disubstituted-1-indanone and a photooxidant E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-03-14 US disclosed
US-3992450-A PHOTOSENSITIVE COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-11-16 US disclosed