SCHEMBL11795459

SCHEMBL11795459

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.47
▸ F2 P00734 2/20 0.45
▸ PLAU P00749 2/20 0.45
▸ PLAT P00750 2/20 0.45
▸ KLK1 P06870 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ PLG P00747 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42

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
SCHEMBL11795463 0.85 RAB9A (0.43) ELANEF2PLAUPLATKLK1
SCHEMBL11394788 0.84 GAA (0.47) RAB9AALDH1A1MAPTAKR1C3
SCHEMBL11799965 0.82 RAB9A (0.50) ELANEF2PLAUPLATKLK1
SCHEMBL17126253 0.77 KLK1 (0.76) ELANEF2PLAUPLATKLK1
SCHEMBL11801782 0.77 KMT2A (0.46) ELANERAB9ANPC1ALDH1A1MAPT
SCHEMBL18953048 0.75 BTN3A1 (0.52) ELANERAB9ANPC1ALDH1A1TP53
SCHEMBL18973479 0.75 BTN3A1 (0.52) ELANERAB9ANPC1ALDH1A1TP53
SCHEMBL17403978 0.75 BTN3A1 (0.52) ELANERAB9ANPC1ALDH1A1TP53
SCHEMBL11390682 0.74 ELANE (0.50) ELANEF2PLAUPLATKLK1
SCHEMBL56268 0.74 HDAC1 (0.54) ELANEF2PLAUPLAT

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
Send feedback