SCHEMBL23906392

SCHEMBL23906392

CCOc1cccc(NC(=O)C(C)(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PDK1 Q15118 2/20 0.53
PDK2 Q15119 2/20 0.53
PDK3 Q15120 2/20 0.53
PDK4 Q16654 2/20 0.53
PLAU P00749 1/20 0.53
RECQL P46063 1/20 0.52
CASP3 P42574 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL28048892 0.87 HTT (0.59) HTTHSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL5357024 0.85 LMNA (0.54) HTTLMNASMN1; SMN2KMT2APOLB
SCHEMBL8266566 0.83 LMNA (0.52) LMNASMN1; SMN2KMT2APOLBNPSR1
SCHEMBL306383 0.83 PDK1 (0.71) HTTLMNASMN1; SMN2KMT2APOLB
SCHEMBL28208041 0.83 HTT (0.65) HTTHSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL10264545 0.83 SMN1; SMN2 (0.67) HTTHSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL6470532 0.82 HTT (0.58) HTTHSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL6616170 0.81 ALDH1A1 (0.66) HTTHSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL1142037 0.81 HTT (0.72) HTTHSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL7631829 0.81 LMNA (0.67) HTTLMNASMN1; SMN2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022213204-A9 CARBOXAMIDE PYROLOPYRAZINE AND PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF MYT1 AND USE THEREOF IN THE TREATMENT OF CANCER REPARE THERAPEUTICS INC. (CA) 2023-11-16 WO disclosed
WO-2022213204-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-10-13 WO disclosed
WO-2021195782-A1 METHODS OF USING MYT1 INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-10-07 WO disclosed