SCHEMBL10371773

SCHEMBL10371773

CC(=O)c1cc(C)n(-c2ccc(C3=[N+]([O-])N=CCC3)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL10371772 0.68 PDE3B (0.56) TSHR
SCHEMBL26003452 0.57 ALDH1A1 (0.50) HSD17B10
SCHEMBL34469977 0.57 NOTUM (0.50) —
SCHEMBL34469705 0.55 KDM4E (0.50) TSHRHSD17B10
SCHEMBL25357326 0.52 GAA (0.55) —
SCHEMBL9512632 0.51 CA12 (0.45) PTGS2
SCHEMBL368155 0.51 CA12 (0.69) HSD17B10
SCHEMBL23147088 0.50 LMNA (0.55) HSD17B10
SCHEMBL28433852 0.50 HSD17B10 (0.66) TSHRHSD17B10
SCHEMBL19511938 0.50 KDM4E (0.54) HSD17B10

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-0231744-B1 SUBSTITUTED PYRROL-1-YLPHENYLDIHYDROPYRIDAZINONES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1990-05-30 — — EP disclosed
Send feedback