SCHEMBL2758513

SCHEMBL2758513

[C-]#[N+]c1cc(C#N)cc(C(C)CC)c1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12297348 0.83 FFAR4 (0.34) —
SCHEMBL19272949 0.82 ALDH1A1 (0.36) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22166132 0.75 PGR (0.37) ALDH1A1HPGD
SCHEMBL12587111 0.74 TTR (0.36) —
SCHEMBL21135650 0.72 MGLL (0.40) ALDH1A1HPGDSMN1; SMN2
SCHEMBL24781205 0.71 PSEN1 (0.40) —
SCHEMBL12399933 0.70 ALDH1A1 (0.38) ALDH1A1
SCHEMBL825570 0.69 HDAC4 (0.49) —
SCHEMBL23373657 0.68 CYP19A1 (0.36) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3435304 0.68 MCL1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906600-B2 Resist pattern forming method, resist pattern, positive resist composition, nanoimprint mold and photomask FUJIFILM CORPORATION (JP) 2014-12-09 — — US disclosed
US-8426103-B2 Positive resist composition for use with electron beam, X-ray or EUV and pattern forming method using the same FUJIFILM CORPORATION (JP) 2013-04-23 — — US disclosed
US-20130052568-A1 RESIST PATTERN FORMING METHOD, RESIST PATTERN, POSITIVE RESIST COMPOSITION, NANOIMPRINT MOLD AND PHOTOMASK FUJIFILM CORPORATION (JP) 2013-02-28 — — US disclosed
US-8092978-B2 Positive resist composition for electron beam, X-ray or EUV and pattern forming method using the same FUJIFILM CORPORATION (JP) 2012-01-10 — — US disclosed
US-20120003585-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 — — US disclosed
US-20090246685-A1 POSITIVE RESIST COMPOSITION FOR ELECTRON BEAM, X-RAY OR EUV AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 — — US disclosed
US-20090202946-A1 POSITIVE RESIST COMPOSITION FOR USE WITH ELECTRON BEAM, X-RAY OR EUV AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-08-13 — — US disclosed
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