SCHEMBL2814874

SCHEMBL2814874

C=C(C)C(=O)N(CCC#N)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.57
USP2 O75604 1/20 0.57
MLYCD O95822 1/20 0.52
ALDH1A1 P00352 9/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6633325 0.84 HSD17B10 (0.63) HSD17B10USP2MLYCDALDH1A1LMNA
SCHEMBL6633322 0.81 HSD17B10 (0.63) HSD17B10USP2MLYCDALDH1A1LMNA
SCHEMBL28353012 0.81 TP53 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10204584 0.81 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11422402 0.80 HSD17B10 (0.67) HSD17B10USP2MLYCDALDH1A1LMNA
SCHEMBL13174328 0.79 HSD17B10 (0.51) HSD17B10USP2MLYCDALDH1A1LMNA
SCHEMBL10272675 0.78 HSD17B10 (0.60) HSD17B10USP2MLYCDALDH1A1LMNA
SCHEMBL2593427 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL491144 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL28177519 0.78 NPC1 (0.54) MLYCDALDH1A1LMNAMEN1KMT2A

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
US-20100247880-A1 NOVEL COPOLYMER, NOVEL COPOLYMER-CONTAINING COMPOSITION, LAMINATE BODY, METHOD OF PRODUCING METAL FILM-COATED MATERIAL, METAL FILM-COATED MATERIAL, METHOD OF PRODUCING METALLIC PATTERN-BEARING MATERIAL AND METALLIC PATTERN-BEARING MATERIAL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-7569328-B2 Resin composition and thermo/photosensitive composition FUJIFILM CORPORATION (JP) 2009-08-04 US disclosed
US-7569328-B2 Resin composition and thermo/photosensitive composition FUJIFILM CORPORATION (JP) 2009-08-04 US disclosed
US-20080044763-A1 Resin composition and thermo/photosensitive composition FUJIFILM CORPORATION 2008-02-21 US disclosed
US-20080044763-A1 Resin composition and thermo/photosensitive composition FUJIFILM CORPORATION 2008-02-21 US disclosed