SCHEMBL30451174

SCHEMBL30451174

[N]C(=O)c1n[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
YTHDC1 Q96MU7 1/20 0.62
STAT3 P40763 1/20 0.62
HIF1A Q16665 1/20 0.62
FLT3 P36888 4/20 0.58
CDK2 P24941 2/20 0.58
CCNA2 P20248 1/20 0.58
CCNA1 P78396 1/20 0.58
CTNNB1 P35222 3/20 0.57
WNT3A P56704 3/20 0.57
IDO1 P14902 1/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
EPHB3 P54753 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
MAPK10 P53779 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7668372 0.84 KDM4E (0.66) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL31148407 0.84 KDM4E (0.66) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL42245 0.82 FLT3 (0.65) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL5353834 0.82 FLT3 (0.65) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL29444537 0.82 FLT3 (0.65) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL4736094 0.81 KDM4E (0.58) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL217086 0.81 KDM4E (0.67) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL591861 0.81 KDM4E (0.62) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL967165 0.81 KDM4E (0.62) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL82761 0.81 KDM4E (0.62) KDM4EYTHDC1STAT3HIF1AFLT3

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-116261562-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2023-06-13 CN disclosed