SCHEMBL30829396

SCHEMBL30829396

Cc1cccc(N)c1NC(=O)CC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NFKB1 P19838 1/20 0.46
LMNA P02545 5/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SCN3A Q9NY46 3/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL24553611 1.00 MEN1 (0.46) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11419554 0.89 MEN1 (0.57) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13743769 0.81 MAPT (0.53) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1148045 0.77 KCNMA1 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11591050 0.77 DRD2 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL12247210 0.75 ALDH1A1 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8625807 0.74 ALDH1A1 (0.63) LMNAMAPTALDH1A1HDAC3HDAC4
SCHEMBL21973097 0.74 GAA (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL12820771 0.72 HDAC3 (0.58) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11551559 0.72 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1HSD17B10

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-114634491-B Polycyclic compound for inhibiting RNA helicase DHX33 成都开悦生命科技有限公司 2024-03-19 CN disclosed