SCHEMBL9686034

SCHEMBL9686034

CC1(C(=O)OCc2ccccc2)NCCc2c1[nH]c1cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.44
KMT2A Q03164 3/20 0.40
OPRM1 P35372 2/20 0.38
OGFRL1 Q5TC84 2/20 0.38
AAK1 Q2M2I8 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CFTR P13569 1/20 0.36
MEN1 O00255 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL10617106 0.88 KMT2A (0.51) KMT2AOPRM1OGFRL1DDB1CRBN
SCHEMBL9687547 0.87 KMT2A (0.45) ALKKMT2ACFTRGSK3BCDK5
SCHEMBL9685278 0.83 KMT2A (0.40) ALKKMT2AOPRM1OGFRL1CFTR
SCHEMBL10465435 0.83 KMT2A (0.43) ALKKMT2ACFTRMEN1GSK3B
SCHEMBL2708913 0.74 MAPKAPK2 (0.55) CFTR
SCHEMBL3476660 0.72 OPRM1 (0.40) KMT2AOPRM1OGFRL1CFTRMEN1
SCHEMBL9686019 0.72 MAPKAPK2 (0.55)
SCHEMBL6238822 0.72 KMT2A (0.51) KMT2AOPRM1OGFRL1MEN1
SCHEMBL11318061 0.65 LMNA (0.49) KMT2AOPRM1OGFRL1MEN1
SCHEMBL2780429 0.64 MAPKAPK2 (0.45) KMT2ACFTRMEN1

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-0273321-B1 7-BROMO-BETA-CARBOLINE COMPOUND AND METHOD FOR PRODUCING SAME Kawaken Fine Chemicals Co., Ltd. (JP) 1992-04-22 EP claimed