SCHEMBL9528517

SCHEMBL9528517

Cc1ccc2c(c1)OCc1ccccc1C2N1CCN(CC=Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
ANXA2 P07355 3/20 0.45
S100A10 P60903 3/20 0.45
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL9528511 1.00 KMT2A (0.45) KMT2AMAPTANXA2S100A10TSHR
SCHEMBL9529300 0.89 LMNA (0.45) KMT2AMAPTTSHRSMN1; SMN2LMNA
SCHEMBL9061654 0.89 LMNA (0.45) KMT2AMAPTTSHRSMN1; SMN2LMNA
SCHEMBL9061660 0.89 LMNA (0.45) KMT2AMAPTTSHRSMN1; SMN2LMNA
Fumaric Acid SCHEMBL30357983 0.83 LMNA (0.46) KMT2AMAPTTSHRSMN1; SMN2LMNA
SCHEMBL10552454 0.83 LMNA (0.46) KMT2AMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL10552460 0.83 LMNA (0.46) KMT2AMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL10554250 0.82 ADRA2A (0.50) KMT2ATSHRSMN1; SMN2ALDH1A1USP2
SCHEMBL10554254 0.82 ADRA2A (0.50) KMT2ATSHRSMN1; SMN2ALDH1A1USP2
SCHEMBL10556593 0.81 ALDH1A1 (0.43) KMT2ATSHRSMN1; SMN2ALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269755-B1 DIBENZ b,e]OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON PHARMACEUTICAL CO (JP) 1993-11-18 EP disclosed
US-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US disclosed
EP-0269755-A1 DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-08 EP disclosed