SCHEMBL6586662

SCHEMBL6586662

O=C1Cc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.54
▸ PARP1 P09874 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ NOTUM Q6P988 1/20 0.42
▸ PNMT P11086 4/20 0.42
▸ AADAT Q8N5Z0 1/20 0.41
▸ CYP2A6 P11509 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ CES2 O00748 2/20 0.37
▸ SRD5A1 P18405 1/20 0.37
▸ HSD17B10 Q99714 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
Water SCHEMBL27598694 0.85 TDP2 (0.50) TDP2PARP1PARP10PNMTKIF11
Ammonia Solution, Strong SCHEMBL28002037 0.85 TDP2 (0.50) TDP2PARP1PARP10NOTUMPNMT
SCHEMBL27974149 0.83 TDP2 (0.49) TDP2PARP1PARP10PNMTAADAT
SCHEMBL9491661 0.79 TDP2 (0.50) TDP2PARP1PARP10NOTUMPNMT
SCHEMBL33527314 0.76 TDP2 (0.59) TDP2PARP1PARP10PNMTKIF11
SCHEMBL4893296 0.74 TDP2 (0.57) TDP2PARP1PARP10CYP1A2CYP2A6
SCHEMBL6584253 0.71 CYP1A2 (0.50) TDP2PARP1PARP10CYP1A2NOTUM
SCHEMBL31265568 0.71 TDP2 (0.54) TDP2PARP1PARP10PNMT
SCHEMBL18010845 0.71 TDP2 (1.00) TDP2PARP1PARP10KIF11
SCHEMBL2387705 0.70 PNMT (0.44) TDP2PARP1PARP10NOTUMPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119595-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-05-31 — — CN disclosed
EP-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 — — EP disclosed
US-5968954-A EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS ADIR ET COMPAGNIE (FR) 1999-10-19 — — US disclosed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 — — EP disclosed
US-4217302-A INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1980-08-12 — — US disclosed
US-4189598-A INSECTICIDES., MITICIDE ZOECON CORPORATION (US) 1980-02-19 — — US disclosed
Send feedback