SCHEMBL18936631

SCHEMBL18936631

COc1ccc(C(=O)N2c3cc(Br)ccc3N(C)C(=O)[C@H]2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR183 P32249 2/20 0.38
KCNH2 Q12809 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
SCHEMBL4495254 0.79 PTPN1 (0.42) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL16372305 0.75 CMA1 (0.40) BRD4MAPTRXFP1ALDH1A1GAA
SCHEMBL15826628 0.75 CMA1 (0.40) BRD4MAPTRXFP1ALDH1A1GAA
SCHEMBL4867889 0.72 SMN1; SMN2 (0.43) BRD4MAPTLMNARAB9AALDH1A1
SCHEMBL4866466 0.72 SMN1; SMN2 (0.43) BRD4MAPTLMNARAB9AALDH1A1
SCHEMBL4496967 0.70 P2RY1 (0.40) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL4498465 0.70 MAPK1 (0.38) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL4870374 0.68 SMN1; SMN2 (0.43) BRD4MAPTLMNARAB9AALDH1A1
SCHEMBL30977968 0.66 BRD4 (0.55) BRD4
SCHEMBL3855280 0.66 ALDH1A1 (0.45) MEN1KMT2ACRHBPCRHR2LMNA

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-3019493-B1 MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2017-06-14 EP disclosed