SCHEMBL21048592

SCHEMBL21048592

O=C1c2ccccc2C(=O)C1(O)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.53
TP53 P04637 5/20 0.51
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
PRKD3 O94806 1/20 0.47
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
ABL1 P00519 1/20 0.47
PRKCG P05129 1/20 0.47
PRKCB P05771 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
PRKCA P17252 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
CCND1 P24385 1/20 0.47

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
SCHEMBL17622901 0.80 PIM1 (0.60) PIM1TP53MGAMGAASI
SCHEMBL29628076 0.76 PIM1 (0.71) PIM1TP53MGAMGAASI
SCHEMBL5435863 0.76 PIM1 (0.71) PIM1TP53MGAMGAASI
SCHEMBL29396524 0.73 MGAM (0.52) PIM1TP53MGAMGAASI
SCHEMBL20550348 0.73 MGAM (0.52) PIM1TP53MGAMGAASI
SCHEMBL28759307 0.72 TP53 (0.65) PIM1TP53MAPTKDM4ETHRB
SCHEMBL31347809 0.72 MGAM (0.58) PIM1MGAMGAASIMGAM2
SCHEMBL21307359 0.72 MGAM (0.58) PIM1MGAMGAASIMGAM2
SCHEMBL8594385 0.71 CFTR (0.51) PIM1TP53MGAMGAASI
SCHEMBL29074193 0.71 GAA (0.50) PIM1TP53MGAMGAASI

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
EP-3611158-B1 1,3-DI-OXO-INDENE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ANTIVIRAL, ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2023-12-20 EP disclosed
EP-2722322-B1 1,3-DI-OXO-INDENE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ANTIVIRAL, ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2019-06-12 EP disclosed