SCHEMBL20195627

SCHEMBL20195627

Cc1cccnc1OCc1c(Cl)cccc1C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 3/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
SGMS2 Q8NHU3 3/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
MAPK1 P28482 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39

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
SCHEMBL20195656 0.86 L3MBTL1 (0.50) ALDH1A1KMT2AL3MBTL1ATMTDP1
SCHEMBL20195552 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AL3MBTL1ATMGAA
SCHEMBL20195479 0.84 KMT2A (0.38) ALDH1A1KMT2AL3MBTL1ATMTDP1
SCHEMBL20195498 0.82 SSTR4 (0.41) ALDH1A1POLB
SCHEMBL20195605 0.82 SGMS2 (0.48) ALDH1A1KMT2AL3MBTL1ATMTDP1
SCHEMBL20195417 0.79 SMN1; SMN2 (0.45) ALDH1A1KMT2AL3MBTL1ATMTDP1
SCHEMBL20195647 0.79 KDM4E (0.44) ALDH1A1L3MBTL1TDP1GAASMN1; SMN2
SCHEMBL17788257 0.76 SLC22A12 (0.41) ALDH1A1GAASMN1; SMN2SGMS2POLB
SCHEMBL17788244 0.76 RAB9A (0.42) SGMS2NPSR1HTTNPC1
SCHEMBL20195426 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AATMTDP1SMN1; 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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed