SCHEMBL8086677

SCHEMBL8086677

CC(CCc1ccc([N+](=O)[O-])cc1C(N)=O)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.48
KMT2A Q03164 2/20 0.48
MITF O75030 1/20 0.47
NPC1 O15118 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL28039112 0.81 KMT2A (0.54) RAB9APKMKMT2AMITFNPC1
SCHEMBL7342649 0.80 KMT2A (0.52) RAB9APKMKMT2AMITFALDH1A1
SCHEMBL28405139 0.78 KMT2A (0.57) RAB9APKMKMT2AMITFNPC1
SCHEMBL28317669 0.76 KMT2A (0.48) RAB9APKMKMT2AMITFNPC1
SCHEMBL30344965 0.75 KMT2A (0.48) RAB9APKMKMT2ANPC1ATM
SCHEMBL27948121 0.74 KMT2A (0.49) RAB9APKMKMT2AMITFNPC1
SCHEMBL28192073 0.74 KMT2A (0.55) RAB9APKMKMT2AMITFNPC1
SCHEMBL16111622 0.74 KMT2A (0.46) RAB9APKMKMT2AMITFNPC1
SCHEMBL28628640 0.73 KMT2A (0.63) RAB9APKMKMT2AMITFNPC1
Hydrochloric Acid SCHEMBL7464116 0.73 KMT2A (0.48) RAB9APKMKMT2AMITFNPC1

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
US-6013760-A COPOLYMER HAVING SUCCINYL DICARBOXYCYCLOHEXENE DERIVATIVE AND DIAMINOBENZAMIDE DERIVATIVE UNITS; PROCESSABILITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-11 US disclosed