SCHEMBL11241829

SCHEMBL11241829

CCOC(=O)c1cnc2c(SC)cccc2c1Cl

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ MAPT P10636 5/20 0.52
▸ HPGD P15428 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL11251294 0.88 KMT2A (0.51) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL2017369 0.86 KMT2A (0.71) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL2020438 0.86 KMT2A (0.71) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2021172 0.85 KMT2A (0.70) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL6537339 0.84 KMT2A (0.68) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL6293263 0.84 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2719292 0.84 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6289957 0.84 KMT2A (0.68) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL11244456 0.84 MEN1 (0.68) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL774503 0.82 MEN1 (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 — — US disclosed
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