SCHEMBL5745559

SCHEMBL5745559

CCc1ccc2cc[c]nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
ELANE P08246 2/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
MEN1 O00255 6/20 0.36
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 6/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL5748489 0.85 CYP1A2 (0.42) CYP1A2CYP2A6ELANENPC1RAB9A
SCHEMBL5746960 0.80 TLR8 (0.48) ALDH1A1KDM4ETP53HSD17B10LMNA
SCHEMBL5747288 0.80 TLR8 (0.48) ALDH1A1KDM4ETP53HSD17B10LMNA
SCHEMBL411739 0.75 CYP1A2 (0.57) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL12044582 0.75 CYP1A2 (0.57) CYP1A2CYP2A6NPC1RAB9AKDM4E
SCHEMBL14439066 0.71 CYP1A2 (0.52) CYP1A2CYP2A6ELANENPC1RAB9A
SCHEMBL209493 0.71 KDM4E (0.38) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL3384257 0.71 ALDH1A1 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL207987 0.71 NR4A2 (0.47) CYP1A2CYP2A6SMN1; SMN2MEN1ALDH1A1
SCHEMBL208857 0.71 BACE1 (0.48) CYP1A2CYP2A6NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
US-4380633-A Methine dyes from tetrahydroquinoline compounds containing N-thioether substituents EASTMAN KODAK COMPANY (US) 1983-04-19 US disclosed
US-4260742-A Methine dyes from tetrahydroquinoline compounds containing n-thioether substituents EASTMAN KODAK COMPANY (US) 1981-04-07 US disclosed
US-4161601-A YELLOW POLYESTERS EASTMAN KODAK COMPANY (US) 1979-07-17 US disclosed