SCHEMBL11032029

SCHEMBL11032029

Nc1ccccc1-c1ncc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA2A P29274 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PTBP1 P26599 1/20 0.42

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
SCHEMBL8776067 0.84 CYP1A2 (0.44) CYP1A2ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL30198446 0.80 CYP1A2 (0.60) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL30527184 0.80 CYP1A2 (0.60) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL1672650 0.80 CYP1A2 (0.60) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8777068 0.78 CYP1A2 (0.40) CYP1A2ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL7351693 0.78 CYP1A2 (0.56) CYP1A2ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL19143038 0.78 CYP1A2 (0.56) CYP1A2ALDH1A1NPC1RAB9AGAA
SCHEMBL29882200 0.78 CYP1A2 (0.56) CYP1A2ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL31116679 0.78 CYP1A2 (0.56) CYP1A2ALDH1A1NPC1RAB9AGAA
SCHEMBL5788551 0.78 CYP1A2 (0.56) CYP1A2ALDH1A1L3MBTL1NPC1RAB9A

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
US-4555569-A PRESSURE AND HEAT SENSITIVE ELEMENTS CIBA-GEIGY CORPORATION (US) 1985-11-26 US disclosed