SCHEMBL2278468

SCHEMBL2278468

O=C(O)c1cccc(CCF)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.61
MRGPRX4 Q96LA9 4/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
ANPEP P15144 1/20 0.50
ENPEP Q07075 1/20 0.50
MEP1B Q16820 1/20 0.49
KMT2A Q03164 1/20 0.49
NR4A2 P43354 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL371526 0.88 FOLH1 (0.70) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL999055 0.85 FOLH1 (0.61) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL1817886 0.84 FOLH1 (0.66) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL16559877 0.84 FOLH1 (0.66) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL30395109 0.84 FOLH1 (0.66) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL10655399 0.84 FOLH1 (0.66) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL30578357 0.84 FOLH1 (0.66) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
Hydrochloric Acid SCHEMBL2636111 0.83 FOLH1 (0.59) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL334419 0.82 CYP4F2 (0.64) FOLH1CYP2D6CYP2C9HIF1AANPEP
Hydrochloric Acid SCHEMBL27689479 0.82 FOLH1 (0.63) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A

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-103524559-B Ester derivant of polysubstituted 4-methylamino benzenecarboximidamide and its production and use 西藏海思科药业集团股份有限公司 2016-09-28 CN disclosed
CN-103201262-B Autotaxin inhibitors and application thereof AMIRA PHARMACEUTICALS, INC. (US) 2016-06-01 CN disclosed
CN-102617580-A Vasopressin V1a Antagonists FERRING BV 2012-08-01 CN disclosed
CN-102164899-A 2, 3-substituted indazoles or 4,5,6, 7-tetrahydro-indazoles as FXR modulators against dyslipidemia and related diseases HOFFMANN LA ROCHE 2011-08-24 CN disclosed
US-7993494-B2 Method for manufacturing triarylpyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-08-09 US disclosed
US-20090183982-A1 Method for Manufacturing Triarylpyrazine Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-07-23 US disclosed