SCHEMBL9770899

SCHEMBL9770899

O=C(O)c1ccc2c3c(ccc2c1)NCC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
PTPN1 P18031 2/20 0.44
CDK2 P24941 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
ENPP2 Q13822 1/20 0.41
DPP4 P27487 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2C Q14957 1/20 0.38
NOTUM Q6P988 1/20 0.37
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
POLB P06746 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
SCHEMBL7088722 0.74 PTPN1 (0.64) KDM4EMAPTPTPN1ALDH1A1HSD17B10
SCHEMBL2638095 0.74 KDM4E (0.81) KDM4EMAPTCDK2ALDH1A1POLB
SCHEMBL29530477 0.74 KDM4E (0.81) KDM4EMAPTCDK2ALDH1A1POLB
SCHEMBL4389476 0.72 PTPN1 (0.50) KDM4EMAPTPTPN1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL698487 0.72 KDM4E (0.78) KDM4EMAPTCDK2ALDH1A1POLB
SCHEMBL3824671 0.72 CA1 (0.52) MAPTCDK2NOTUMPLAU
SCHEMBL5380029 0.71 KDM4E (0.61) KDM4EMAPTCDK2ALDH1A1HSD17B10
SCHEMBL5753987 0.71 ALDH1A1 (0.55) KDM4EMAPTCDK2ALDH1A1HSD17B10
SCHEMBL3096217 0.70 KDM4E (0.60) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL29906797 0.70 KDM4E (0.60) KDM4EMAPTALDH1A1HSD17B10HPGD

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
US-5030708-A Methine benzindole dyes as comonomers in polyesters; nontoxic; heat resistance; food and beverage containers and packaging; color intensity EASTMAN KODAK COMPANY (US) 1991-07-09 US disclosed