SCHEMBL11254196

SCHEMBL11254196

Cc1cc([N+](=O)[O-])ccc1NC(=N)NC(=O)NC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ HTT P42858 4/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ TRPV1 Q8NER1 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ TBXA2R P21731 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CCR6 P51684 1/20 0.47

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
SCHEMBL11050707 0.88 KMT2A (0.52) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL11054990 0.87 TBXA2R (0.47) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL11054953 0.87 TBXA2R (0.44) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL11052550 0.87 GAA (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11052090 0.87 MAPT (0.54) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL11053862 0.85 ALDH1A1 (0.48) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL11049847 0.85 PKM (0.60) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL11054066 0.84 TBXA2R (0.42) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL11263800 0.82 HTT (0.59) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL11049969 0.82 MEN1 (0.50) MAPTALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 — — US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 — — US disclosed
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