SCHEMBL7659930

SCHEMBL7659930

Cc1ccc2c(c1)CCc1cc(C(F)(F)F)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
TDP2 O95551 1/20 0.44
PARP10 Q53GL7 3/20 0.43
PARP11 Q9NR21 2/20 0.43
SRD5A1 P18405 1/20 0.41
NOTUM Q6P988 1/20 0.41
PARP1 P09874 1/20 0.40
NFE2L2 Q16236 1/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
CYP26A1 O43174 1/20 0.37
CYP24A1 Q07973 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PHGDH O43175 1/20 0.37
GPR3 P46089 1/20 0.37
METAP1 P53582 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL19422232 0.83 PARP10 (0.55) PARP10PARP11SRD5A1NOTUMPARP1
SCHEMBL33527314 0.77 TDP2 (0.59) KIF11TDP2PARP10PARP1HTR2A
SCHEMBL7666138 0.77 MAOA (0.41) TDP2PARP10NOTUMPARP1HTR2A
SCHEMBL7664100 0.77 CYP24A1 (0.59) CYP26A1CYP24A1
SCHEMBL7665011 0.76 PARP10 (0.46) KIF11PARP10PARP11SRD5A1METAP1
SCHEMBL7668079 0.75 GPR3 (0.58) PARP10PARP11SRD5A1GPR3METAP1
SCHEMBL2388879 0.74 CASP1 (0.55) TDP2PARP10PARP11NOTUMPARP1
SCHEMBL26375481 0.74 KIF11 (0.49) KIF11NFE2L2GPR3
SCHEMBL7662242 0.74 PDK2 (0.41) TDP2PARP10NOTUMPARP1HTR2A
SCHEMBL6853221 0.74 SRD5A1 (0.52) PARP10PARP11SRD5A1METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495220-B2 WITH POSITIVE DIELECTRIC ANISOTROPY AND FAVORABLE VISCOSITY; THERMAL, LIGHT AND ULTRAVIOLET STABILITY; USE IN PORTABLE TELEPHONES AND NOTEBOOK COMPUTERS CLARIANT INTERNATIONAL LTD. (CH) 2002-12-17 US disclosed
US-20010023935-A1 With positive dielectric anisotropy and favorable viscosity; thermal, light and ultraviolet stability; use in portable telephones and notebook computers CLARIANT INTERNATIONAL LTD. (CH) 2001-09-27 US disclosed