SCHEMBL9829565

SCHEMBL9829565

O=C(O)CN(c1cc2ccccc2o1)c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.47
MAOB P27338 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
GPR35 Q9HC97 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 3/20 0.46

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
SCHEMBL793694 0.75 ALDH1A1 (0.54) FLT3MAOBNPC1RAB9ATSHR
SCHEMBL17236445 0.72 KDM4E (0.48) FLT3MAOBNPC1RAB9ATSHR
SCHEMBL11387072 0.72 FLT3 (0.46) FLT3MAOBNPC1RAB9ATSHR
SCHEMBL5960738 0.71 ALDH1A1 (0.42) FLT3MAOBNPC1RAB9AMEN1
SCHEMBL1650806 0.70 ESR1 (0.57) FLT3MAOBNPC1RAB9ATSHR
SCHEMBL11883586 0.69 MAOB (0.49) MAOBNPC1RAB9ATSHRMEN1
SCHEMBL6316106 0.69 HPGD (0.44) FLT3MAOBNPC1RAB9ATSHR
SCHEMBL1253016 0.69 APP (0.47) FLT3MAOBRAB9AKMT2ACA12
SCHEMBL7248298 0.68 LOXL2 (0.53) FLT3MAOBNPC1RAB9ATSHR
SCHEMBL155789 0.67 FLT3 (0.74) FLT3MAOBNPC1RAB9ATSHR

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
EP-0197294-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1991-04-03 EP disclosed
US-4734407-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed