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
SCHEMBL2020438 0.86 KMT2A (0.71) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2017369 0.86 KMT2A (0.71) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL2021172 0.85 KMT2A (0.70) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL6293263 0.84 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6537339 0.84 KMT2A (0.68) KMT2AMEN1MAPTHPGDALDH1A1
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