SCHEMBL18386613

SCHEMBL18386613

CCC(C)(C)c1nc2cc(-c3ccc4[nH]c(-c5cccc(C(C)(CC)CC)c5)nc4c3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.36
▸ NPC1 O15118 6/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SCD O00767 1/20 0.35
▸ MAPT P10636 3/20 0.34

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
SCHEMBL13564112 0.96 CYP3A4 (0.43) PDPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14271001 0.93 PDPK1 (0.41) PDPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14354941 0.92 HDAC6 (0.45) PDPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12693440 0.91 CYP3A4 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19HDAC6
SCHEMBL13890377 0.89 CYP3A4 (0.45) PDPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13873244 0.87 CYP3A4 (0.43) PDPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10052938 0.82 NPC1 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19HDAC6
SCHEMBL12238089 0.81 NPC1 (0.38) PDPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9915005 0.77 HDAC6 (0.49) PDPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13472814 0.77 HDAC6 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3128592-B1 POLYMER ELECTROLYTE COMPOSITION, POLYMER ELECTROLYTE MEMBRANE USING SAME, CATALYST LAYER-COATED ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY AND SOLID POLYMER FUEL CELL TORAY INDUSTRIES (JP) 2021-03-17 — — EP disclosed
US-10253147-B2 Polymer electrolyte composition, polymer electrolyte membrane using same, catalyst coated membrane, membrane electrode assembly and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2019-04-09 — — US disclosed
US-10243229-B2 Polymer electrolyte membrane, catalyst coated membrane, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2019-03-26 — — US disclosed
EP-3128592-A1 POLYMER ELECTROLYTE COMPOSITION, POLYMER ELECTROLYTE MEMBRANE USING SAME, CATALYST LAYER-COATED ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY AND SOLID POLYMER FUEL CELL Toray Industries, Inc. (JP) 2017-02-08 — — EP disclosed
US-20170018793-A1 POLYMER ELECTROLYTE MEMBRANE, CATALYST COATED MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2017-01-19 — — US disclosed
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