SCHEMBL8301192

SCHEMBL8301192

N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c(C(=O)NCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
CRHBP P24387 1/20 0.46
RECQL P46063 1/20 0.46
CRHR2 Q13324 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
ALDH2 P05091 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL8297238 0.86 POLB (0.53) KMT2ATP53ALDH1A1TSHRCRHBP
SCHEMBL8292747 0.86 HSP90AA1 (0.55) KMT2ATP53ALDH1A1TSHRCRHBP
SCHEMBL8297964 0.82 SMN1; SMN2 (0.49) KMT2ATP53ALDH1A1TSHRCRHBP
SCHEMBL8292069 0.81 HSP90AA1 (0.52) KMT2ATP53TSHRCRHBPRECQL
SCHEMBL8298680 0.80 HSP90AA1 (0.48) KMT2ATP53ALDH1A1TSHRCRHBP
SCHEMBL8293491 0.80 PDE5A (0.53) PKMRAB9AGAALMNA
SCHEMBL8293493 0.80 PDE5A (0.53) PKMRAB9AGAALMNA
SCHEMBL6940177 0.80 KDM4E (0.46) KMT2ATP53ALDH1A1CRHBPRECQL
SCHEMBL6940176 0.80 KDM4E (0.46) KMT2ATP53ALDH1A1CRHBPRECQL
SCHEMBL8292749 0.79 KMT2A (0.48) KMT2ATP53ALDH1A1TSHRCRHBP

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