SCHEMBL27602559

SCHEMBL27602559

NCc1ccc(-c2cc(CO)ccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.60
RECQL P46063 1/20 0.46
ADRB2 P07550 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
LOX P28300 2/20 0.42
LOXL3 P58215 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
FYN P06241 1/20 0.39
CYP2A6 P11509 1/20 0.39
PRKCI P41743 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
PLAU P00749 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL14310545 0.84 LOXL2 (0.50) LOXL2RECQLPRKCIPLAUKDM1A
SCHEMBL27602586 0.83 LOXL2 (0.56) LOXL2ADRB2HRH3LOXLOXL3
SCHEMBL4764104 0.81 RECQL (0.47) LOXL2RECQLKDM1AHDAC1HDAC6
SCHEMBL4772524 0.81 LOXL2 (0.50) LOXL2RECQLFYNPRKCIKDM1A
SCHEMBL4772393 0.81 RECQL (0.56) LOXL2RECQL
SCHEMBL4492835 0.81 RECQL (0.47) LOXL2RECQLFYN
SCHEMBL995901 0.80 ASIC3 (0.53) LOXL2RECQLFYNPRKCIKDM1A
SCHEMBL29393772 0.79 RECQL (0.61) LOXL2RECQLPRKCIPLAUKDM1A
SCHEMBL1411265 0.79 RECQL (0.61) LOXL2RECQLPRKCIPLAUKDM1A
SCHEMBL14303459 0.79 LOXL2 (0.64) LOXL2ADRB2LOXLOXL3IRAK4

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-100491352-C Asymmetrical cyclic diamine compound KOWA CO (JP) 2009-05-27 CN disclosed
CN-1520402-A Unsymmetrical cyclic diamine compound ������������ʽ���� 2004-08-11 CN disclosed