SCHEMBL29200982

SCHEMBL29200982

CCn1cc(C)c2cc(N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
HBB P68871 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAD52 P43351 2/20 0.41
GAA P10253 2/20 0.41
GFER P55789 2/20 0.41
BRPF1 P55201 1/20 0.37
CASP1 P29466 3/20 0.36
LMNA P02545 4/20 0.36
HTR6 P50406 1/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11075326 0.81 CACNB4 (0.39) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL15712469 0.81 ICMT (0.43) KDM4EMAPTALDH1A1HSD17B10MEN1
SCHEMBL21295511 0.79 PLA2G2A (0.48) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL24824798 0.79 CYP19A1 (0.44) KDM4EMAPTALDH1A1MAPK1GAA
SCHEMBL16727205 0.79 PTGER4 (0.43) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL27112644 0.76 LMNA (0.39) KDM4EMAPTALDH1A1HSD17B10MEN1
SCHEMBL16729368 0.76 PDE4A (0.46) HTR6
SCHEMBL31035937 0.76 PRKCI (0.46) KDM4EMAPTALDH1A1HSD17B10MEN1
SCHEMBL930733 0.76 PRKCI (0.46) KDM4EMAPTALDH1A1HSD17B10MEN1
SCHEMBL11628385 0.75 PTGER4 (0.50) KDM4EMAPTALDH1A1HSD17B10MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332950-A Indazole substituted podophyllotoxin derivative and preparation method and application thereof 汤亚杰 2023-06-27 CN claimed
CN-116332950-A Indazole substituted podophyllotoxin derivative and preparation method and application thereof 汤亚杰 2023-06-27 CN disclosed