SCHEMBL28066675

SCHEMBL28066675

CCOC(=O)c1ccc(C(=O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 3/20 0.56
PKM P14618 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
PTGER4 P35408 1/20 0.53
VCAM1 P19320 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
THRB P10828 1/20 0.47
MEN1 O00255 2/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL28230924 0.99 KMT2A (0.56) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL18779429 0.91 KMT2A (0.58) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL18763562 0.89 KMT2A (0.56) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL7941824 0.87 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL6422578 0.86 KMT2A (0.65) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL27946274 0.85 VCAM1 (0.56) KMT2AALDH1A1MAPTLMNAPOLB
Hydrochloric Acid SCHEMBL11780689 0.85 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL27923323 0.85 VCAM1 (0.55) KMT2AALDH1A1MAPTRAB9ACRHBP
Piperidine SCHEMBL28288928 0.84 KMT2A (0.43) KMT2AALDH1A1MAPTRAB9ANPC1
Malonic Acid SCHEMBL28116103 0.84 VCAM1 (0.51) KMT2AALDH1A1MAPTNPC1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102985405-B Heterocyclic compounds and p27Kip1Decomposition inhibitor ASKA制药株式会社 2016-07-06 CN disclosed