SCHEMBL9545369

SCHEMBL9545369

CCN(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
TLR9 Q9NR96 1/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 5/20 0.49

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
SCHEMBL9134233 0.83 TDP1 (0.56) ALDH1A1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL9545436 0.77 KMT2A (0.71) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7376588 0.77 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL265009 0.77 RAB9A (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL8665732 0.77 ALDH1A1 (0.50) ALDH1A1TP53MEN1KMT2ACRHBP
SCHEMBL8174336 0.75 NPC1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL28659194 0.74 NPC1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL4929277 0.74 MEN1 (0.77) NPC1RAB9ASMN1; SMN2TAAR1MEN1
SCHEMBL11059936 0.74 GAA (0.72) ALDH1A1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL11487212 0.74 CNR2 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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
WO-1993019040-A1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-30 WO disclosed