SCHEMBL11795463

SCHEMBL11795463

O=C(OCc1ccc([N+](=O)[O-])cc1)C(NC=S)P(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ F2 P00734 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ PLAT P00750 1/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ GAA P10253 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
SCHEMBL11795459 0.85 ELANE (0.47) RAB9ANPC1ALDH1A1MAPTELANE
SCHEMBL11394792 0.85 GAA (0.45) RAB9AALDH1A1MAPTAKR1C3HTR2A
SCHEMBL11799965 0.80 RAB9A (0.50) RAB9ANPC1MAPTELANEF2
SCHEMBL11801782 0.77 KMT2A (0.46) RAB9ANPC1ALDH1A1MAPTELANE
SCHEMBL11390684 0.76 ELANE (0.45) ELANEF2PLAUPLATKLK1
SCHEMBL11815209 0.74 ELANE (0.38) ALDH1A1ELANEF2PLAUPLAT
SCHEMBL17126253 0.74 KLK1 (0.76) ELANEF2PLAUPLATKLK1
SCHEMBL18973479 0.73 BTN3A1 (0.52) RAB9ANPC1ALDH1A1ELANEMEN1
SCHEMBL17403978 0.73 BTN3A1 (0.52) RAB9ANPC1ALDH1A1ELANEMEN1
SCHEMBL18953048 0.73 BTN3A1 (0.52) RAB9ANPC1ALDH1A1ELANEMEN1

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-3962224-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 — — US disclosed
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