SCHEMBL30514751

SCHEMBL30514751

Cc1ccccc1C(=O)N(C)CCCO

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
HDAC6 Q9UBN7 1/20 0.47
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
PDK2 Q15119 1/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
TP53 P04637 1/20 0.40
TACR1 P25103 1/20 0.39

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
SCHEMBL10330507 0.87 KMT2A (0.59) KMT2AHDAC6TSHRMAPK1HPGD
SCHEMBL10330500 0.85 KMT2A (0.58) KMT2AHDAC6TSHRMAPK1HPGD
SCHEMBL20858854 0.84 KMT2A (0.60) KMT2AHDAC6TSHRMAPK1HPGD
SCHEMBL10269519 0.83 KMT2A (0.63) KMT2AHDAC6TSHRMAPK1HPGD
SCHEMBL2228382 0.83 KMT2A (0.63) KMT2AHDAC6TSHRMAPK1HPGD
SCHEMBL15108850 0.81 KMT2A (0.61) KMT2AHDAC6TSHRMAPK1HPGD
SCHEMBL14454157 0.81 KMT2A (0.61) KMT2AHDAC6TSHRMAPK1HPGD
SCHEMBL29062257 0.80 CDK4 (0.55) HDAC6HPGDGAASMN1; SMN2TP53
SCHEMBL19204050 0.79 KMT2A (0.67) KMT2ATSHRMAPK1HPGDMEN1
SCHEMBL15343524 0.79 KMT2A (0.67) KMT2ATSHRMAPK1HPGDMEN1

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-111868063-B PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-08-01 CN claimed