SCHEMBL30937486

SCHEMBL30937486

CC(C)(C)OC(=O)Nc1ccc2[nH]cc(CC#N)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
NQO2 P16083 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CSNK2A1 P68400 3/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
TACR1 P25103 1/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
CFTR P13569 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SPR P35270 1/20 0.38

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
SCHEMBL10580532 0.85 CYP1A2 (0.52) CYP1A2NQO2MTNR1AMTNR1BCSNK2A1
SCHEMBL14487629 0.84 KDM4E (0.55) CYP1A2NQO2MTNR1AMTNR1BCTSL
SCHEMBL10552279 0.83 CSNK2A1 (0.55) CYP1A2NQO2MTNR1AMTNR1BCSNK2A1
SCHEMBL14555872 0.83 MTNR1A (0.52) CYP1A2NQO2MTNR1AMTNR1BCTSL
SCHEMBL14487538 0.83 MTNR1A (0.55) CYP1A2NQO2MTNR1AMTNR1BCTSL
SCHEMBL10577796 0.82 CTSS (0.60) CTSLCTSSCTSKTACR1MAPT
SCHEMBL30937472 0.82 CTSL (0.50) MTNR1AMTNR1BCSNK2A1CTSLCTSS
SCHEMBL10553159 0.82 CSNK2A1 (0.56) CYP1A2NQO2MTNR1AMTNR1BCSNK2A1
SCHEMBL10553918 0.81 CSNK2A1 (0.52) CYP1A2NQO2MTNR1AMTNR1BCSNK2A1
SCHEMBL10577235 0.81 CSNK2A1 (0.52) CYP1A2NQO2MTNR1AMTNR1BCSNK2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4629988-A1 DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER AND INFECTIONS Centre National de la Recherche Scientifique (FR) 2025-10-15 EP disclosed
WO-2024121072-A1 DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER AND INFECTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-06-13 WO disclosed