Sugi Predict

Sugi Predict / Compounds / SCHEMBL18573199

SCHEMBL18573199

SCHEMBL18573199

Clc1cc(C2=C(c3ccc(-c4ccccc4)nc3)CCC=C2)cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ HPGDS O60760 1/20 0.32
▸ LDHA P00338 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ KDM1A O60341 3/20 0.31
▸ MAOB P27338 2/20 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
SCHEMBL18015353 0.88 HPGDS (0.39) CHRNB2CHRNA3HPGDSLDHAHSD17B1
SCHEMBL18573198 0.82 LDHA (0.45) HPGDSLDHAMAP4K4HSD17B1HSD17B2
SCHEMBL21390661 0.75 HSD17B1 (0.51) HPGDSLDHAMAP4K4HSD17B1HSD17B2
SCHEMBL19933741 0.75 MAP4K4 (0.49) HPGDSLDHAMAP4K4HSD17B1HSD17B2
SCHEMBL18015574 0.74 LDHA (0.52) HPGDSLDHAHSD17B1HSD17B2
SCHEMBL19933578 0.74 LDHA (0.52) HPGDSLDHAHSD17B1HSD17B2
SCHEMBL18015693 0.73 NPC1 (0.46) LDHAMAP4K4HSD17B1HSD17B2KDM1A
SCHEMBL19794431 0.73 LDHA (0.50) HPGDSLDHAHSD17B1HSD17B2
SCHEMBL21721920 0.73 LDHA (0.50) HPGDSLDHAHSD17B1HSD17B2
SCHEMBL19794370 0.73 LDHA (0.50) HPGDSLDHAHSD17B1HSD17B2

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
WO-2017032439-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-03-02 — — WO disclosed