SCHEMBL17422686

SCHEMBL17422686

C1=Cc2ccc3c(ncc4c5ccccc5ccc34)c2NC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
APEX1 P27695 1/20 0.37
PMP22 Q01453 1/20 0.37
HPRT1 P00492 4/20 0.37
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PAX8 Q06710 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 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
SCHEMBL2643488 0.78 ALDH1A1 (0.39) LMNACYP3A4MAPTMAPK1APEX1
SCHEMBL29639994 0.78 ALDH1A1 (0.39) LMNACYP3A4MAPTMAPK1APEX1
SCHEMBL17422017 0.76 CYP3A4 (0.36) LMNACYP3A4MAPTHPRT1NPC1
SCHEMBL1644904 0.74 LMNA (0.48) LMNACYP3A4MAPTPMP22SMN1; SMN2
SCHEMBL18902560 0.70 PARP1 (0.30)
SCHEMBL17231596 0.69 NPC1 (0.32) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23954295 0.69 ABL1 (0.34) LMNAMAPTMAPK1NPC1RAB9A
SCHEMBL30956235 0.68 HPRT1 (0.61) LMNACYP3A4MAPTMAPK1APEX1
SCHEMBL8895152 0.68 PIM1 (0.34) ALDH1A1
SCHEMBL28462174 0.66 HSD17B10 (0.37) LMNAMAPTHPRT1PAX8ALDH1A1

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 1 patent. 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