SCHEMBL20100302

SCHEMBL20100302

C=C(C(=O)NC(=O)C(C)(C)C)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
PKM P14618 1/20 0.38
PTK2B Q14289 1/20 0.38
ALDH1A1 P00352 3/20 0.36
ALOX12 P18054 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.31
GAA P10253 1/20 0.30
NPC1 O15118 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL20100393 0.84 CA2 (0.42) ALDH1A1CA2SMN1; SMN2
SCHEMBL20100303 0.80 RIPK1 (0.38) ALDH1A1LMNAL3MBTL1GAA
SCHEMBL15045387 0.75 L3MBTL1 (0.39) CYP1A2PKMPTK2BALDH1A1ALOX12
SCHEMBL12057427 0.73 KDM4E (0.32) ALDH1A1LMNARAB9AKDM4ESMN1; SMN2
SCHEMBL10005742 0.72 CA2 (0.32) CA2
SCHEMBL20100364 0.71 TP53 (0.33) CYP1A2PKMPTK2BSMN1; SMN2
SCHEMBL20100339 0.70 CYP1A2 (0.30) CYP1A2PKMPTK2B
SCHEMBL5690876 0.69 CYP1A2 (0.48) CYP1A2PKMPTK2BALDH1A1ALOX12
SCHEMBL21150959 0.69
SCHEMBL13713522 0.69 CYP1A2 (0.40) CYP1A2PKMPTK2BALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10042259-B2 Topcoat compositions and pattern-forming methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
US-10042259-B2 Topcoat compositions and pattern-forming methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed