SCHEMBL15096895

SCHEMBL15096895

O=C(OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCC(OC(=O)C23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
OPRM1 P35372 1/20 0.38
SRD5A2 P31213 1/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL15096892 0.89 OPRM1 (0.42) KDM4EMAPK1TDP1OPRM1ALDH1A1
SCHEMBL1055547 0.79 KDM4E (0.53) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL15096897 0.79 CYP2C19 (0.36) KDM4EOPRM1SRD5A2ALDH1A1MAPT
SCHEMBL13327253 0.76 HTT (0.44) KDM4EOPRM1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14509620 0.76 ALDH1A1 (0.48) KDM4EMAPK1TDP1ALDH1A1MAPT
SCHEMBL1058181 0.75 GPR174 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL12281700 0.75 KDM4E (0.48) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL30728601 0.73 KDM4E (0.46) KDM4EMAPK1OPRM1ALDH1A1MAPT
SCHEMBL10925246 0.70 CYP17A1 (0.50) KDM4EMAPK1TDP1ALDH1A1MAPT
SCHEMBL16253856 0.69 KDM4E (0.44) KDM4EOPRM1ALDH1A1MAPTSMN1; SMN2

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-8956800-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2015-02-17 US disclosed
US-8956800-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2015-02-17 US disclosed
US-20130177853-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-07-11 US disclosed
US-20130177853-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-07-11 US disclosed