SCHEMBL8897410

SCHEMBL8897410

N#Cc1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.61
MAOB P27338 4/20 0.53
BCHE P06276 1/20 0.53
MAOA P21397 4/20 0.53
KDM1A O60341 1/20 0.53
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
OPRM1 P35372 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
CYP19A1 P11511 1/20 0.49
MAPT P10636 1/20 0.49
CYP2A6 P11509 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNA1B Q00975 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47

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
SCHEMBL23879203 0.91 LOXL2 (0.71) LOXL2MAOBMAOAKDM1ATSHR
SCHEMBL6165590 0.84 SIGMAR1 (0.64) BCHEMAOAMEN1KMT2ATDP1
SCHEMBL20804527 0.84 MEN1 (0.48) LOXL2MAOBBCHEMAOAKDM1A
SCHEMBL29912750 0.83 LOXL2 (0.65) LOXL2MAOBMAOAKDM1AMEN1
SCHEMBL10054993 0.82 MEN1 (0.74) BCHEMAOAMEN1KMT2ATDP1
Water SCHEMBL11666905 0.82 MEN1 (0.74) BCHEMAOAMEN1KMT2ATDP1
SCHEMBL6396768 0.82 LOXL2 (0.59) LOXL2MAOBMAOATSHRMEN1
SCHEMBL23015299 0.82 LOXL2 (0.59) LOXL2MAOBMAOAMEN1KMT2A
SCHEMBL1169913 0.81 LOXL2 (0.49) LOXL2MAOBMAOAKDM1AMEN1
SCHEMBL6960019 0.80 MAOB (0.66) LOXL2MAOBMAOATSHRCYP19A1

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
CN-110963927-A Allylation method of N-benzyl aniline compound 重庆大学 2020-04-07 CN claimed
US-5703050-A INHIBIT PLATELET AGGREGATION, METASTASIS OF CARCINOMA CELLS, OSTEOCLAST BINDING TO BONE SURFACE HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed