SCHEMBL31300404

SCHEMBL31300404

COc1cccc(NC(=O)C2CCC(=O)N2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PARP1 P09874 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50

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
SCHEMBL4999644 0.84 POLB (0.70) POLBMEN1KMT2AHTTNPC1
SCHEMBL30597986 0.83 NPSR1 (0.58) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL13777928 0.83 NPSR1 (0.58) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL29149452 0.81 POLB (0.51) POLBMEN1KMT2ASMN1; SMN2PARP1
SCHEMBL30434482 0.81 POLB (0.55) POLBALDH1A1MEN1KMT2AHTT
SCHEMBL28103666 0.81 POLB (0.55) POLBALDH1A1MEN1KMT2AHTT
SCHEMBL29149345 0.80 POLB (0.46) POLBMTNR1AMTNR1BMEN1KMT2A
SCHEMBL29938626 0.80 POLB (0.46) POLBMTNR1AMTNR1BMEN1KMT2A
SCHEMBL2222173 0.80 POLB (0.63) POLBMEN1KMT2ASMN1; SMN2PARP1
SCHEMBL2222163 0.80 POLB (0.63) POLBMEN1KMT2ASMN1; SMN2PARP1

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
CN-107556366-B Compound having mutant isocitrate dehydrogenase inhibitory activity, process for producing the same, and use thereof 上海海和药物研究开发股份有限公司 2025-02-07 CN disclosed