SCHEMBL24115709

SCHEMBL24115709

CSCc1nc2cc(C)ccc2nc1CSc1ccccccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.49
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 8/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
TDP1 Q9NUW8 3/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL16644141 0.86 NQO2 (0.53) NQO2ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL16644172 0.79 NQO2 (0.46) NQO2ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL24115639 0.78 NQO2 (0.44) NQO2ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL7694096 0.77 NPC1 (0.50) NQO2ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL20880273 0.77 NQO2 (0.43) NQO2ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL23739009 0.77 NQO2 (0.43) NQO2ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL7698454 0.76 NQO2 (0.45) NQO2ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL24115643 0.75 NQO2 (0.42) NQO2ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL7689877 0.75 SMN1; SMN2 (0.43) NQO2ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL19937141 0.74 MAPT (0.46) NQO2ALDH1A1KDM4EL3MBTL1SMN1; 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-3925627-A1 DRUG-CONJUGATES AND USES THEREOF Concortis Biosystems, Corp (US) 2021-12-22 EP disclosed