SCHEMBL29322965

SCHEMBL29322965

C=C1NCCN1c1ccc(C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NOTUM Q6P988 2/20 0.38
MGLL Q99685 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
PANK3 Q9H999 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10022344 0.81 CCNA2 (0.46) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL25627378 0.77 MEN1 (0.40) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL14223264 0.76 SIGMAR1 (0.43) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL16786535 0.71 MGLL (0.45) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL20884960 0.70 DHODH (0.39) MEN1KMT2ACYP2C19MGLLNPC1
SCHEMBL28396602 0.70 SMN1; SMN2 (0.42) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL24648921 0.70 SLC6A2 (0.49) MEN1KMT2AMGLLL3MBTL1TDP1
SCHEMBL25581233 0.70 FAAH (0.40) MGLLNISCHL3MBTL1ALDH1A1MAPT
SCHEMBL26375315 0.69 DDB1 (0.49) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL656889 0.67 ADRB1 (0.62) HTR1DHTR1BALDH1A1

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-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 EP disclosed