Sugi Predict

Sugi Predict / Compounds / SCHEMBL23956232

SCHEMBL23956232

SCHEMBL23956232

Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3cccc(O)c3)nc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 6/20 0.56
▸ HSD17B2 P37059 6/20 0.56
▸ LDHA P00338 1/20 0.46
▸ FYN P06241 4/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37

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
SCHEMBL23956262 0.91 LDHA (0.49) HSD17B1HSD17B2LDHADYRK1AIDO1
SCHEMBL18015491 0.91 LDHA (0.54) HSD17B1HSD17B2LDHADYRK1AESR2
SCHEMBL21125949 0.91 LDHA (0.54) HSD17B1HSD17B2LDHADYRK1AESR2
SCHEMBL18015375 0.91 LDHA (0.54) HSD17B1HSD17B2LDHADYRK1AESR2
SCHEMBL23956316 0.89 HSD17B1 (0.60) HSD17B1HSD17B2FYNKDM1ADYRK1A
SCHEMBL23956162 0.89 HSD17B1 (0.60) HSD17B1HSD17B2FYNKDM1ADYRK1A
SCHEMBL23956155 0.88 HSD17B1 (0.71) HSD17B1HSD17B2LDHAFYNKDM1A
SCHEMBL23956346 0.85 NPC1 (0.45) LDHAFYNKDM1ADYRK1AADORA1
SCHEMBL18015476 0.84 LDHA (0.57) LDHAESR2IDO1TDO2
SCHEMBL23956256 0.83 LDHA (0.54) LDHADYRK1AESR2IDO1TDO2

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-3601304-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-10-27 — — EP disclosed