SCHEMBL9037834

SCHEMBL9037834

COc1ccc(N2CCN(c3ccc(-n4ccn(CC(F)(F)F)c4=O)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL25160147 0.83 MAPT (0.38) MAPTDRD2SMN1; SMN2ALDH1A1GAA
SCHEMBL9038067 0.82 DRD2 (0.59) MAPTDRD2L3MBTL1LMNATSHR
SCHEMBL9384752 0.78 MAPT (0.58) MAPTDRD2L3MBTL1LMNASMN1; SMN2
SCHEMBL9041528 0.77 DRD2 (0.51) MAPTDRD2L3MBTL1LMNATSHR
SCHEMBL20644489 0.77 LIPG (0.34) —
SCHEMBL20644611 0.77 MAPT (0.39) MAPTLMNAGAATP53THRB
SCHEMBL17832622 0.74 MAPT (0.53) MAPTDRD2L3MBTL1LMNATSHR
SCHEMBL9038976 0.73 MAPT (0.59) MAPTDRD2L3MBTL1LMNATSHR
SCHEMBL9058198 0.72 MAPT (0.64) MAPTDRD2L3MBTL1LMNATSHR
SCHEMBL10466161 0.72 MAPT (0.51) MAPTDRD2L3MBTL1LMNATSHR

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
EP-0402989-B1 Antifungal 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones and imidazolones JANSSEN PHARMACEUTICA NV (BE) 1996-04-03 — — EP disclosed
US-5075309-A For prevention and treatment of fungal diseases in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-24 — — US disclosed
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