SCHEMBL8301482

SCHEMBL8301482

COc1cc(NC(=O)c2ccncc2)c(C(=O)NCc2ccc3c(c2)OCO3)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
PKM P14618 2/20 0.58
HPGD P15428 1/20 0.57
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
HSP90AA1 P07900 1/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
AURKA O14965 1/20 0.50
MAPT P10636 1/20 0.50
USP2 O75604 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MCL1 Q07820 1/20 0.49
HKDC1 Q2TB90 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
SCHEMBL8567528 0.86 HSD17B10 (0.66) HSD17B10HPGDKDM4ETSHRNPSR1
SCHEMBL8568497 0.84 KDM1A (0.49) HPGDROCK2KMT2AMEN1MAPT
SCHEMBL8301379 0.83 HSD17B10 (0.69) HSD17B10HPGDKDM4ETSHRNPSR1
SCHEMBL8297761 0.82 HSD17B10 (0.69) HSD17B10HPGDKDM4ETSHRNPSR1
SCHEMBL8301638 0.81 PKM (0.56) PKMHPGDKDM4ETSHRROCK2
SCHEMBL8297954 0.80 PKM (0.68) PKMHPGDHSP90AA1KMT2AMEN1
SCHEMBL9231471 0.79 HSD17B10 (0.59) HSD17B10PKMHPGDKDM4ETSHR
SCHEMBL8293174 0.75 TSHR (0.56) HSD17B10PKMHPGDKDM4ETSHR
SCHEMBL5338096 0.74 PKM (0.77) PKMHPGDROCK2ROCK1HSP90AA1
SCHEMBL8292899 0.73 ALDH1A1 (0.50) HPGDNPSR1ROCK2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed