SCHEMBL8533808

SCHEMBL8533808

CC1c2ccccc2C=CN1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CCL2 P13500 1/20 0.47
ATM Q13315 1/20 0.37
HTR2A P28223 2/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 6/20 0.34
KDM4E B2RXH2 6/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 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
SCHEMBL10694747 0.79 BRD4 (0.55) BRD4CCL2ATMHTR2AALDH1A1
SCHEMBL7570833 0.79 BRD4 (0.42) BRD4CCL2ATMHTR2AALDH1A1
SCHEMBL14156129 0.74 ATM (0.47) BRD4CCL2ATMALDH1A1MAPT
SCHEMBL27682027 0.72 BRD4 (0.40) BRD4CCL2ATMHTR2AALDH1A1
Bromide SCHEMBL10686124 0.72 BRD4 (0.44) BRD4CCL2ATMHTR2AALDH1A1
SCHEMBL10688105 0.71 BRD4 (0.46) BRD4CCL2ATMHTR2AALDH1A1
SCHEMBL11155913 0.69 BRD4 (0.49) BRD4CCL2ATMHTR2AALDH1A1
SCHEMBL16144149 0.69 KDM4E (0.37) HTR2AALDH1A1MAPTKDM4ECYP3A4
SCHEMBL28177977 0.69 BRD4 (0.41) BRD4CCL2ATMHTR2AALDH1A1
SCHEMBL5532790 0.68 PRCP (0.44) BRD4CCL2HTR2AALDH1A1MAPT

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-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed