SCHEMBL11780366

SCHEMBL11780366

O=C(Nc1ccccc1Cc1ccccc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
PPIA P62937 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 1/20 0.46
CTSL P07711 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44

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
SCHEMBL6770587 0.87 RAB9A (0.48) RAB9ANPC1PPIACTSLMEN1
SCHEMBL10490780 0.81 KMT2A (0.59) RAB9ANPC1PPIAMEN1KMT2A
SCHEMBL87044 0.81 POLB (0.61) RAB9ANPC1PPIAMEN1KMT2A
SCHEMBL6097282 0.80 CYP19A1 (0.51) NPC1L3MBTL1CYP19A1MEN1KMT2A
SCHEMBL6672269 0.78 RAB9A (0.61) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL9524996 0.78 CXCR1 (0.60) RAB9ANPC1CYP19A1CTSLMEN1
SCHEMBL6966891 0.77 PLAU (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9524409 0.77 NPC1 (0.64) RAB9ANPC1L3MBTL1CYP19A1MEN1
SCHEMBL15516309 0.76 NPC1 (0.66) RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL9588889 0.76 NPC1 (0.70) RAB9ANPC1L3MBTL1KMT2ASMN1; SMN2

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-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 US disclosed