SCHEMBL30930985

SCHEMBL30930985

CC(C)(C)N1CCN(c2cc(Br)cnc2N)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
DHFR P00374 4/20 0.37
GFER P55789 2/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ATR Q13535 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL29182674 1.00 KMT2A (0.41) KMT2AHTTDHFRGFERHSD17B10
SCHEMBL31000957 0.79 HTR1A (0.36) KMT2AGFERHRH4HRH3LMNA
SCHEMBL27250643 0.79 HTR1A (0.36) KMT2AGFERHRH4HRH3LMNA
SCHEMBL29858551 0.79 HTT (0.47) KMT2AHTTDHFRKDM4EALDH1A1
SCHEMBL26917123 0.79 HTT (0.47) KMT2AHTTDHFRKDM4EALDH1A1
SCHEMBL30930915 0.78 HRH4 (0.32) HRH4HRH3
SCHEMBL29182874 0.78 HRH4 (0.32) HRH4HRH3
SCHEMBL29182741 0.78 HTR1A (0.31) HRH4HRH3
SCHEMBL30931057 0.78 HTR1A (0.31) HRH4HRH3
SCHEMBL30366380 0.76 GAA (0.46) KMT2AHTTDHFRKDM4EALDH1A1

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-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed