SCHEMBL8298680

SCHEMBL8298680

Nc1cc(NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c(C(=O)NCc2ccc3c(c2)OCO3)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.46
CRHBP P24387 1/20 0.46
RECQL P46063 1/20 0.46
CRHR2 Q13324 1/20 0.46
PKM P14618 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ALDH2 P05091 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP13 P45452 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL8566730 0.88 HPGD (0.47) HSP90AA1KMT2APKMALDH1A1TSHR
SCHEMBL8301638 0.87 PKM (0.56) KMT2APKMALDH1A1TSHRMEN1
SCHEMBL8292747 0.86 HSP90AA1 (0.55) HSP90AA1KMT2ATP53CRHBPRECQL
SCHEMBL8297238 0.83 POLB (0.53) KMT2ATP53CRHBPRECQLCRHR2
SCHEMBL8293880 0.80 HSP90AA1 (0.61) HSP90AA1KMT2ATP53CRHBPRECQL
SCHEMBL8301192 0.80 KMT2A (0.48) KMT2ATP53CRHBPRECQLCRHR2
SCHEMBL8292270 0.80 PDE11A (0.43) KMT2APKMRAB9ATSHRMEN1
SCHEMBL8292266 0.80 PDE11A (0.43) KMT2APKMRAB9ATSHRMEN1
SCHEMBL8567528 0.80 HSD17B10 (0.66) HSP90AA1KMT2AALDH1A1TSHRMEN1
SCHEMBL9231471 0.80 HSD17B10 (0.59) HSP90AA1KMT2ATP53CRHBPRECQL

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