SCHEMBL7751886

SCHEMBL7751886

[CH2]Cc1ncc(Br)cc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
AGBL2 Q5U5Z8 2/20 0.33
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DYRK1A Q13627 2/20 0.31
NPC1 O15118 1/20 0.31
UHRF1 Q96T88 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
SCHEMBL7430667 0.84 S1PR1 (0.37) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL7426895 0.81 S1PR1 (0.36) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL29338673 0.81 S1PR1 (0.37) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL15080876 0.81 S1PR1 (0.37) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL16809676 0.79 S1PR1 (0.39) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL2112705 0.79 S1PR1 (0.39) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL1577276 0.79 AGBL2 (0.37) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL661676 0.78 NOS3 (0.46) AGBL2
SCHEMBL18489099 0.78 S1PR1 (0.35) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL5733354 0.76 S1PR1 (0.34) S1PR1S1PR3SMN1; SMN2HTTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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