SCHEMBL10696638

SCHEMBL10696638

O=c1c2c(C(F)(F)F)cccc2nc2sccn12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.37
XPO1 O14980 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
PKM P14618 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TPH1 P17752 1/20 0.35

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
SCHEMBL9770762 0.82 CYP1A2 (0.43) CYP1A2TDP1POLBKDM4EALDH1A1
SCHEMBL10696259 0.81 CYP1A2 (0.43) CYP1A2TDP1POLBKDM4ELMNA
SCHEMBL9534383 0.79 TDP1 (0.50) CYP1A2TDP1POLBKDM4ELMNA
SCHEMBL9534833 0.79 CYP1A2 (0.50) CYP1A2TDP1LMNAL3MBTL1ALDH1A1
SCHEMBL9535141 0.79 CYP1A2 (0.50) CYP1A2TDP1LMNAGAASMN1; SMN2
SCHEMBL9534033 0.76 PKM (0.50) CYP1A2TDP1KDM4ELMNAL3MBTL1
SCHEMBL9534961 0.76 CYP1A2 (0.43) CYP1A2TDP1POLBKDM4ELMNA
SCHEMBL6704339 0.75 KDM4E (0.54) CYP1A2TDP1POLBKDM4ELMNA
SCHEMBL9770613 0.74 KDM4E (0.61) KDM4EL3MBTL1ALDH1A1XPO1SMN1; SMN2
SCHEMBL9534657 0.74 CYP1A2 (0.42) CYP1A2TDP1KDM4ELMNAL3MBTL1

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-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed