SCHEMBL10930333

SCHEMBL10930333

CC(O)N1CCN(Cc2nc(C(=O)c3ccc(F)cc3)no2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL10926181 0.84 LMNA (0.60) LMNAHTTNPSR1KMT2APOLB
SCHEMBL10930339 0.83 MAPK1 (0.40) ALDH1A1MAPTLMNAKMT2AL3MBTL1
SCHEMBL10993952 0.83 SMN1; SMN2 (0.48) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL10929942 0.82 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL10925160 0.82 LMNA (0.57) MAPTLMNAHTTNPSR1KMT2A
Hydrochloric Acid SCHEMBL10926536 0.82 NPC1 (0.47) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL10925857 0.80 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10927393 0.79 LMNA (0.43) ALDH1A1LMNAPOLBSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL10925679 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL10992668 0.76 MAPT (0.50) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4562186-A HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US claimed
EP-0189080-A2 (1,2,4-Oxadiazol-3-YL)-arylmethanones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-07-30 — — EP disclosed
US-4562186-A HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US disclosed
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