SCHEMBL7989910

SCHEMBL7989910

CCOC(=O)c1c(-c2ccc(C)cc2)nc(-c2cccc3ccccc23)n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
HCRTR1 O43613 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2C P28335 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7988458 0.82 GABRA2 (0.49) RAB9AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7977729 0.82 MEN1 (0.48) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6257997 0.78 CYP1A2 (0.62) RAB9ANPC1MAPTCYP1A2CYP2C9
SCHEMBL13247931 0.74 HDAC8 (0.56) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL7988918 0.74 RAB9A (0.47) RAB9ANPC1MAPTCYP1A2CYP2C9
SCHEMBL3405737 0.73 MAPK1 (0.59) RAB9AMAPTCYP1A2SMN1; SMN2MAPK1
SCHEMBL7987898 0.72 CYP19A1 (0.56) SMN1; SMN2ALDH1A1GABRA2GABRB2MEN1
SCHEMBL8823134 0.71 GABRA2 (0.50) RAB9ANPC1MAPTCYP1A2CYP2C9
SCHEMBL3402362 0.71 MAPK1 (0.51) RAB9AMAPTSMN1; SMN2MAPK1HCRTR1
SCHEMBL7989585 0.71 TARBP2 (0.46) RAB9ANPC1MAPTSMN1; SMN2MAPK1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed