SCHEMBL27707696

SCHEMBL27707696

CC=Cc1cccc2c1CCC(=S)N2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HK1 P19367 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GALK1 P51570 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ KIF11 P52732 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30

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
SCHEMBL27707619 0.71 GRIA1 (0.37) RAB9ACYP1A2
SCHEMBL31462459 0.69 BCL2L1 (0.33) —
SCHEMBL430954 0.68 GABRA1 (0.38) MEN1KMT2AKDM4ENPC1HSP90AA1
SCHEMBL3621915 0.63 PARP1 (0.43) KDM4ENPC1MAPTALDH1A1
SCHEMBL88725 0.62 MEN1 (0.65) MEN1KMT2AKDM4ENPC1HSP90AA1
SCHEMBL28379837 0.62 HTR5A (0.42) MEN1KMT2AKDM4ENPC1HSP90AA1
SCHEMBL9833949 0.62 MEN1 (0.48) MEN1KMT2AKDM4ENPC1HSP90AA1
SCHEMBL17591558 0.61 NFE2L2 (0.41) MEN1KMT2AKDM4EMAPTTHRB
SCHEMBL333121 0.61 NFE2L2 (0.41) MEN1KMT2AKDM4EMAPTTHRB
SCHEMBL333122 0.61 NFE2L2 (0.41) MEN1KMT2AKDM4EMAPTTHRB

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
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 — — CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 — — CN disclosed
Send feedback