SCHEMBL11799965

SCHEMBL11799965

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ F2 P00734 2/20 0.46
▸ PLAU P00749 2/20 0.46
▸ PLAT P00750 2/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ ELANE P08246 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ IDO1 P14902 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KLK1 P06870 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ PLG P00747 1/20 0.43

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
SCHEMBL10400079 0.86 ELANE (0.56) F2PLAUPLATELANEKLK1
SCHEMBL10458677 0.83 AKR1C3 (0.50) RAB9ANPC1AKR1C3HTR2AIDO1
SCHEMBL11795459 0.82 ELANE (0.47) RAB9ANPC1F2PLAUPLAT
SCHEMBL11801782 0.80 KMT2A (0.46) RAB9ANPC1AKR1C3ELANEHTR2A
SCHEMBL11795463 0.80 RAB9A (0.43) RAB9ANPC1F2PLAUPLAT
SCHEMBL6559779 0.77 RAB9A (0.56) RAB9ANPC1AKR1C3HTR2AIDO1
SCHEMBL17126253 0.77 KLK1 (0.76) F2PLAUPLATELANEKLK1
SCHEMBL7737719 0.76 RAB9A (0.55) RAB9ANPC1IDO1
SCHEMBL18953048 0.76 BTN3A1 (0.52) RAB9ANPC1ELANEHTR2A
SCHEMBL18973479 0.76 BTN3A1 (0.52) RAB9ANPC1ELANEHTR2A

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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