SCHEMBL20428838

SCHEMBL20428838

CSc1n[nH]c(-c2ccc(I)cc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCUN1D1 Q96GG9 9/20 0.48
▸ ALPL P05186 3/20 0.47
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ ALPG P10696 1/20 0.36
▸ GRK6 P43250 2/20 0.35
▸ DCUN1D2 Q6PH85 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL16661263 0.82 DCUN1D1 (0.48) DCUN1D1ALPLNPC1RAB9AKDM4E
SCHEMBL8158453 0.68 DCUN1D1 (0.74) DCUN1D1ALPLNPC1RAB9AKDM4E
SCHEMBL16661004 0.68 DCUN1D1 (0.48) DCUN1D1ALPLNPC1RAB9AKDM4E
SCHEMBL25957505 0.67 DCUN1D1 (0.66) DCUN1D1ALPLNPC1RAB9AKDM4E
SCHEMBL6269096 0.67 IDO1 (0.43) —
SCHEMBL7847296 0.65 NISCH (0.40) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL16661200 0.64 DCUN1D1 (0.42) DCUN1D1ALPLNPC1RAB9AKDM4E
SCHEMBL16661201 0.64 DCUN1D1 (0.57) DCUN1D1ALPLNPC1RAB9AKDM4E
SCHEMBL1528139 0.64 ALPL (1.00) DCUN1D1ALPLNPC1RAB9ALMNA
SCHEMBL7635074 0.63 DCUN1D1 (0.71) DCUN1D1ALPLNPC1RAB9AKDM4E

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
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 — — EP disclosed
Send feedback