SCHEMBL9565986

SCHEMBL9565986

O=C(CF)C(F)(F)C(=O)c1cccs1.[KH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
GSK3B P49841 1/20 0.43
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC1 Q13547 1/20 0.42
HPGD P15428 3/20 0.40

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
SCHEMBL538810 0.98 DAO (0.50) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL6565661 0.97 DAO (0.48) DAONPC1RAB9AALDH1A1MEN1
Triphenylphosphine Oxide SCHEMBL15157249 0.86 SMN1; SMN2 (0.44) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL7037574 0.84 CES2 (0.58) DAONPC1RAB9AALDH1A1MEN1
Phenanthroline SCHEMBL3137738 0.82 KDM4E (0.46) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL11432621 0.80 CES1 (0.53) DAONPC1RAB9AALDH1A1MEN1
Phenanthroline SCHEMBL3137852 0.77 KDM4E (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL3144739 0.76 TOP2A (0.40) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL1760911 0.76 CES1 (0.58) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL28704087 0.73 CES2 (0.54) DAONPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565715-A1 LIQUEFIED GAS FUEL FOR GENERATING HIGHLY LUMINOUS COLORED FLAME YOSHIBI, CO., LTD. (JP) 1993-10-20 EP disclosed