SCHEMBL11404540

SCHEMBL11404540

Cc1ccc(NO)cc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RAPGEF4 Q8WZA2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL8311810 0.79 KMT2A (0.47) KMT2AHDAC1HDAC6NPC1RAB9A
SCHEMBL11414048 0.78 POLB (0.54) KMT2AHDAC1HDAC6NPC1RAB9A
SCHEMBL12981083 0.78 RAB9A (0.47) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL22593417 0.77 KMT2A (0.50) KMT2AHDAC1HDAC6NPC1RAB9A
SCHEMBL2504813 0.77 KMT2A (0.46) KMT2AHDAC1HDAC6NPC1RAB9A
SCHEMBL4118553 0.77 NPC1 (0.69) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL5172599 0.77 KMT2A (0.68) KMT2AHDAC1HDAC6NPC1RAB9A
SCHEMBL18591632 0.76 RAPGEF4 (0.48) KMT2ANPC1RAB9AMEN1MAPT
Hydrochloric Acid SCHEMBL4587756 0.76 KMT2A (0.45) KMT2AHDAC1HDAC6NPC1RAB9A
SCHEMBL8251619 0.75 NPC1 (0.62) KMT2AHDAC1NPC1RAB9AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 — — EP disclosed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 — — EP disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 — — US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 — — US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 — — US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 — — US disclosed
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