SCHEMBL17422017

SCHEMBL17422017

C1=Cc2ccc3cc4c(ccc5ccccc54)nc3c2NC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SLC2A1 P11166 1/20 0.30

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
SCHEMBL29639994 0.78 ALDH1A1 (0.39) CYP3A4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL2643488 0.78 ALDH1A1 (0.39) CYP3A4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL9857769 0.78 ALDH1A1 (0.41) MAOAALDH1A1HSD17B10MAPTNPC1
SCHEMBL17422686 0.76 LMNA (0.37) CYP3A4ALDH1A1HSD17B10HIF1AMAPT
SCHEMBL606941 0.73 ALDH1A1 (0.54) CYP3A4MAOAALDH1A1HSD17B10HIF1A
SCHEMBL30373850 0.73 ALDH1A1 (0.54) CYP3A4MAOAALDH1A1HSD17B10HIF1A
SCHEMBL1644904 0.71 LMNA (0.48) CYP3A4ALDH1A1HSD17B10HIF1AMAPT
SCHEMBL24250861 0.70 PARP1 (0.40) ALDH1A1MAPTLMNARAB9AMEN1
SCHEMBL21985122 0.70 NISCH (0.33) CYP1B1
SCHEMBL18902560 0.70 PARP1 (0.30)

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
WO-2016005992-A1 SUBSTITUTED NAPHTHO[2,1-b][1,10]PHENANTHROLINE BASED FLUORESCENT DYES AND APPLICATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-01-14 WO disclosed
WO-2016005992-A1 SUBSTITUTED NAPHTHO[2,1-b][1,10]PHENANTHROLINE BASED FLUORESCENT DYES AND APPLICATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-01-14 WO disclosed