SCHEMBL9079251

SCHEMBL9079251

CN(C)C(=O)C(Cl)c1c(-c2ccccc2)nc2n3c4c(cccc4n12)CC3

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TSHR P16473 2/20 0.32
▸ NR4A2 P43354 2/20 0.32
▸ CYP46A1 Q9Y6A2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ HSD11B2 P80365 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL9079761 0.92 AHR (0.34) MAPTCYP46A1KMT2AKDM4E
SCHEMBL9080373 0.89 NPSR1 (0.34) NPSR1ALDH1A1MAPTTSHRNR4A2
SCHEMBL9279045 0.84 MCL1 (0.38) NPSR1ALDH1A1TSHRLMNAKDM4E
SCHEMBL9077919 0.81 AHR (0.34) MAPTCYP46A1KMT2AKDM4E
SCHEMBL9079247 0.78 NR4A2 (0.39) NR4A2LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL9078562 0.77 KDM4E (0.35) NPSR1ALDH1A1MAPTTSHRNR4A2
SCHEMBL9277713 0.73 NR4A2 (0.38) ALDH1A1NR4A2LMNAKDM4EHPGD
SCHEMBL9080914 0.73 KDM4E (0.39) NPSR1ALDH1A1MAPTTSHRLMNA
SCHEMBL9416617 0.72 ADORA1 (0.39) ALDH1A1LMNAKDM4EHPGD
SCHEMBL9281297 0.71 MCL1 (0.40) NPSR1ALDH1A1TSHRLMNAKMT2A

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-5512590-A PREVENTS DISORDER OF GABAERGIC TRANSMISSION SYNTHELABO (FR) 1996-04-30 — — US disclosed
EP-0682025-A1 5,6-dihydro-4H-imidazo 2',1':2,3 imidazo 4,5,1-ij quinoline and 4,5-dihydroimidazo 1,2-a pyrrolo 1,2,3-cd benzimidazol derivatives SYNTHELABO (FR) 1995-11-15 — — EP disclosed
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