SCHEMBL11192598

SCHEMBL11192598

c1ccc2c(c1)c1c3n2CNCC3NCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTR2A P28223 5/20 0.39
▸ HTR2C P28335 5/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TP53 P04637 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ DRD1 P21728 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
SCHEMBL10836352 0.77 HSD17B10 (0.78) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL10992739 0.76 HSD17B10 (0.76) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL11193303 0.74 HSD17B10 (0.45) HSD17B10MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL11191037 0.73 HSD17B10 (0.47) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL11362481 0.73 HSD17B10 (0.60) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL3174932 0.71 HSD17B10 (0.97) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL11354704 0.69 HSD17B10 (0.54) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL10836067 0.68 HSD17B10 (0.50) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL11470919 0.66 HSD17B10 (0.57) HSD17B10MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL11469730 0.65 HSD17B10 (0.60) HSD17B10MEN1KMT2AALDH1A1HPGD

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
US-4367230-A ANTIANOXIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1983-01-04 — — US disclosed
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