SCHEMBL11835704

SCHEMBL11835704

Cc1ccc2c(c1)c(-c1ccccc1)nn2CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ HSD17B10 Q99714 3/20 0.48
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PTGER1 P34995 1/20 0.44
▸ THRB P10828 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ PDE5A O76074 1/20 0.41

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
SCHEMBL5412777 0.89 KMT2A (0.48) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL11835817 0.82 KDM4E (0.61) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL11834058 0.81 HSD17B10 (0.69) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL11845306 0.81 KDM4E (0.49) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL11834527 0.81 KDM4E (0.43) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL15631874 0.80 MAPT (0.77) MAPTHSD17B10KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL11843968 0.80 KDM4E (0.42) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL11843862 0.79 KDM4E (0.47) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL11838059 0.79 KDM4E (0.47) MAPTHSD17B10KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL11837485 0.79 CACNB4 (0.43) MAPTHSD17B10KDM4EALDH1A1HPGD

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-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US disclosed
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