SCHEMBL31258780

SCHEMBL31258780

CNc1c(N)cccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 3/20 0.39
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
MAP2K1 Q02750 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
PIK3CA P42336 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
CHUK O15111 1/20 0.33
CA1 P00915 1/20 0.32

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
SCHEMBL1161652 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL8466087 0.78 TSHR (0.48) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL16269530 0.78 TSHR (0.56) CYP1A2CYP2C19TSHRKDM4ESMN1; SMN2
SCHEMBL25990458 0.76 DYRK1A (0.41) TSHRKDM4ESMN1; SMN2HPGDLMNA
SCHEMBL16119585 0.76 SRC (0.43) TSHRKDM4ESMN1; SMN2HPGDMAPT
SCHEMBL12844265 0.76 LRRK2 (0.39) TSHRKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL29642992 0.76 KDM4E (0.56) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL17940666 0.76 KDM4E (0.56) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL27607960 0.73 KCNH2 (0.45) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL307615 0.73 KDM4E (0.40) CYP3A4CYP1A2CYP2C9CYP2C19TSHR

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-118974035-A 2-Aminoimidazole derivatives as PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-11-15 CN disclosed