SCHEMBL27505080

SCHEMBL27505080

CCCC(=O)Oc1nn(CC#N)c(=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL9374155 0.77 RECQL (0.76) RECQLALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL9374161 0.71 ALOX15 (0.43) ALDH1A1GAAALOX15MAPTSMN1; SMN2
SCHEMBL8767256 0.70 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL13413651 0.66 MAPT (0.54) RECQLALDH1A1GAAALOX15MAPT
SCHEMBL3317990 0.65 RECQL (0.55) RECQLGAAALOX15MAPTSMN1; SMN2
SCHEMBL10485351 0.64 PKM (0.55) RECQLALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL20398454 0.64 BCL9 (0.46) RECQLALDH1A1GAAALOX15MAPT
SCHEMBL29372046 0.64 BCL9 (0.46) RECQLALDH1A1GAAALOX15MAPT
SCHEMBL3316327 0.63 KAT2B (0.52) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL6232637 0.63 NPC1 (0.47) ALDH1A1GAAALOX15MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1245804-A Zoposta-hydrate polymorphic form product PFIZER PROD INC (US) 2000-03-01 — — CN disclosed
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