SCHEMBL6919966

SCHEMBL6919966

O=C(NCCc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.72
CNR2 P34972 4/20 0.72
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
TAAR1 Q96RJ0 1/20 0.61
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.57
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
TACR1 P25103 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.51

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
SCHEMBL1405358 0.88 SMN1; SMN2 (0.60) CNR1CNR2KMT2AMEN1SMN1; SMN2
SCHEMBL29407117 0.88 SMN1; SMN2 (0.60) CNR1CNR2KMT2AMEN1SMN1; SMN2
SCHEMBL1405355 0.88 SMN1; SMN2 (0.60) CNR1CNR2KMT2AMEN1SMN1; SMN2
SCHEMBL16609505 0.87 SMN1; SMN2 (0.59) CNR1CNR2KMT2AMEN1SMN1; SMN2
SCHEMBL27448741 0.87 SMN1; SMN2 (0.59) CNR1CNR2KMT2AMEN1SMN1; SMN2
SCHEMBL16609247 0.87 SMN1; SMN2 (0.59) CNR1CNR2KMT2AMEN1SMN1; SMN2
SCHEMBL13569363 0.84 CNR1 (0.81) CNR1CNR2SMN1; SMN2ALDH1A1TACR1
SCHEMBL28026850 0.82 KMT2A (0.55) CNR1CNR2KMT2AMEN1SMN1; SMN2
SCHEMBL28026853 0.82 KMT2A (0.55) CNR1CNR2KMT2AMEN1SMN1; SMN2
SCHEMBL18830580 0.81 MMP2 (0.65) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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