SCHEMBL31098985

SCHEMBL31098985

c1ccc(N(c2nccc3ccccc23)C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 5/20 0.44
RPLP1 P05386 5/20 0.41
RPLP0 P05388 5/20 0.41
RPS17 P08708 5/20 0.41
RPSA P08865 5/20 0.41
RPS2 P15880 5/20 0.41
RPL35A P18077 5/20 0.41
RPL7 P18124 5/20 0.41
RPL17 P18621 5/20 0.41
RPS4Y1 P22090 5/20 0.41
RPS3 P23396 5/20 0.41
RPS12 P25398 5/20 0.41
RPL13 P26373 5/20 0.41
RPL10 P27635 5/20 0.41
RPL12 P30050 5/20 0.41
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 5/20 0.41
RPL22 P35268 5/20 0.41

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
SCHEMBL31098988 0.86 SLC6A2 (0.45) KCNH2RPLP1RPLP0RPS17RPSA
SCHEMBL21047747 0.75 DDB1 (0.43) KCNH2RPLP1RPLP0RPS17RPSA
SCHEMBL29586328 0.75 DDB1 (0.43) KCNH2RPLP1RPLP0RPS17RPSA
SCHEMBL616634 0.74 KCNA3 (0.53) MEN1KMT2ACYP3A4KCNA3ALDH1A1
SCHEMBL31098956 0.73 PLAU (0.47) KMT2ACYP3A4ALDH1A1CYP2C19HSD17B10
SCHEMBL16484700 0.73 PLAU (0.47) KMT2ACYP3A4ALDH1A1CYP2C19HSD17B10
SCHEMBL11484964 0.72 KCNA3 (0.51) MEN1KMT2ACYP3A4KCNA3ALDH1A1
SCHEMBL218047 0.72 KCNA3 (0.50) MEN1KMT2ACYP3A4KCNA3ALDH1A1
SCHEMBL25221004 0.70 CYP3A4 (0.34) MEN1KMT2ACYP3A4JAK3ALDH1A1
SCHEMBL13367359 0.70 EGFR (0.56) PLAUCYP2A6F12NCF1NOS3

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-112390755-B Heteroaryl method for amine 中国科学院理化技术研究所 2024-08-02 CN claimed