SCHEMBL7751879

SCHEMBL7751879

[CH2]CNc1ncc(Br)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EDNRA P25101 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
PKM P14618 1/20 0.36
GRM5 P41594 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL19260116 0.83 ALDH1A1 (0.40) ALDH1A1NPC1MAPTCYP1A2CYP2D6
SCHEMBL25366687 0.79 CDK1 (0.40) ALDH1A1NPC1MAPTCYP1A2CYP2D6
SCHEMBL2967953 0.76 ALDH1A1 (0.43) ALDH1A1NPC1MAPTCYP1A2CYP2D6
SCHEMBL10365100 0.76 STK17A (0.51) ALDH1A1NPC1STK17A
SCHEMBL10367108 0.75 STK17A (0.47) ALDH1A1NPC1STK17AAURKAKDR
SCHEMBL28815247 0.75 ALDH1A1 (0.46) ALDH1A1NPC1MAPTCYP1A2CYP2D6
SCHEMBL16166013 0.75 ALDH1A1 (0.42) ALDH1A1NPC1MAPTCYP1A2CYP2D6
SCHEMBL2323316 0.72 ACHE (0.50) MAPTCYP1A2CYP2D6TDP1KMT2A
SCHEMBL7751886 0.71 S1PR1 (0.39) ALDH1A1NPC1MAPTL3MBTL1S1PR1
SCHEMBL12640338 0.71 KDM4E (0.53) ALDH1A1NPC1MAPTCYP1A2CYP2D6

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
CN-1214780-C Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI AVENTIS (FR) 2005-08-17 CN disclosed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6114336-A Cosmetic composition containing a neuropeptide Y receptor antagonist SANOFI (FR) 2000-09-05 US disclosed
US-5827853-A MIXTURE CONTAINING PRODUCT FROM FERMENTATION BY STREPTOMYCES FOR TOPICAL APPLICATION TO SKIN OR HAIR, TO IMPROVE TEXTURE, SURFACE SMOOTHNESS, FIRMNESS SANOFI (FR) 1998-10-27 US disclosed
CN-1180519-A Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI SA (FR) 1998-05-06 CN disclosed