SCHEMBL8962445

SCHEMBL8962445

Cc1ccc(-c2ccc(Cl)cc2)c2c1C=CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HCRTR1 O43613 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
AHR P35869 1/20 0.31
BRD4 O60885 1/20 0.31
HSD11B1 P28845 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
SCHEMBL1826218 0.73 CYP1A2 (0.32) CYP1A2
SCHEMBL8962426 0.72 CYP2A6 (0.45) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL27615471 0.72 CYP1A2 (0.31) CYP1A2
Lithium SCHEMBL29650829 0.72 CYP1A2 (0.31) CYP1A2
SCHEMBL22228283 0.72 CYP1A2 (0.31) CYP1A2
SCHEMBL30112264 0.71 ACHE (0.30)
SCHEMBL6358940 0.68
SCHEMBL8962241 0.68 GAA (0.36) NPC1RAB9AALDH1A1L3MBTL1GAA
SCHEMBL7756242 0.67 PARP10 (0.33) ALDH1A1MAPK1HPGDHSD17B10CYP1A2
SCHEMBL17571742 0.67 TDP1 (0.32) ALDH1A1MAPTTSHRCYP3A4

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
EP-0500005-B1 Process for the preparation of substituted indenes HOECHST AG (DE) 1996-02-07 EP disclosed
US-5194619-A PROCESS FOR THE PREPARATION OF SUBSTITUTED INDENES HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
EP-0500005-A1 Process for the preparation of substituted indenes HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-26 EP disclosed