SCHEMBL6830389

SCHEMBL6830389

NC(=O)N(CCc1ccccc1)C(=O)[C@H](CNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TAAR1 Q96RJ0 1/20 0.52
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.42
MMP2 P08253 1/20 0.42
PKM P14618 1/20 0.41
FFAR1 O14842 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MITF O75030 1/20 0.40
POLB P06746 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
SCHEMBL6830780 0.84 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2TAAR1TMEM97
SCHEMBL6830387 0.79 RAB9A (0.53) NPC1RAB9ASMN1; SMN2TAAR1TMEM97
SCHEMBL6830383 0.76 MMP2 (0.40) NPC1ALDH1A1MAPTKDM4EUSP2
SCHEMBL6830393 0.76 MEN1 (0.53) NPC1RAB9ASMN1; SMN2TAAR1TMEM97
SCHEMBL6827975 0.74 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TAAR1TMEM97
SCHEMBL6962971 0.70 SMN1; SMN2 (0.89) NPC1RAB9ASMN1; SMN2TAAR1TMEM97
SCHEMBL11024162 0.70 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TAAR1TMEM97
SCHEMBL6830779 0.68 PPARG (0.49) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL27731771 0.67 MEN1 (0.61) NPC1RAB9ASMN1; SMN2TAAR1ALDH1A1
SCHEMBL6625969 0.67 EPHX1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed