SCHEMBL30744324

SCHEMBL30744324

COc1ccc(Cn2ccc(CN3C(=O)c4ccccc4C3=O)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.49
NR1H2 P55055 1/20 0.49
UTS2R Q9UKP6 2/20 0.47
LMNA P02545 5/20 0.47
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL21492162 1.00 NR1H3 (0.49) NR1H3NR1H2UTS2RLMNAKMT2A
SCHEMBL4854039 0.84 NR1H3 (0.62) NR1H3NR1H2UTS2RLMNAKMT2A
SCHEMBL21503296 0.79 UTS2R (0.49) NR1H3NR1H2UTS2RLMNAKMT2A
Hydrochloric Acid SCHEMBL21492876 0.76 LMNA (0.51) LMNAKMT2ARXFP1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30744459 0.76 LMNA (0.51) LMNAKMT2ARXFP1ALDH1A1SMN1; SMN2
SCHEMBL10926180 0.76 CASP3 (0.56) UTS2RKMT2ARXFP1TP53MAPT
SCHEMBL29195353 0.75 NR1H3 (0.55) NR1H3NR1H2UTS2RLMNAKMT2A
SCHEMBL8777049 0.73 LMNA (0.72) NR1H3NR1H2LMNAALDH1A1MAPT
SCHEMBL12177051 0.72 KMT2A (0.71) NR1H3NR1H2UTS2RLMNAKMT2A
SCHEMBL18669081 0.72 TDP1 (0.70) UTS2RLMNAKMT2ARXFP1ALDH1A1

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-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed