SCHEMBL7454153

SCHEMBL7454153

N#Cc1ccc(Oc2ncccn2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PYGL P06737 2/20 0.42
PYGM P11217 2/20 0.42
RAB9A P51151 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP19A1 P11511 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7448098 0.87 MEN1 (0.47) PPARGMEN1KMT2ARAB9AMAPT
SCHEMBL961426 0.82 PPARG (0.57) PPARGMEN1KMT2APYGLPYGM
SCHEMBL8460102 0.79 KDR (0.41) PYGLPYGMMRGPRX4CYP19A1CYP1A2
SCHEMBL4309752 0.79 SMN1; SMN2 (0.54) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL7456383 0.76 RAB9A (0.49) MEN1KMT2ARAB9AMRGPRX4MAPT
SCHEMBL958883 0.76 PPARG (0.55) PPARGMEN1KMT2ARAB9AMAPT
SCHEMBL31227019 0.75 PPARG (0.51) PPARGMEN1KMT2APYGLPYGM
SCHEMBL4733431 0.74 BACE1 (0.44) PPARGRAB9ACYP1A2CYP2C19
SCHEMBL29720129 0.72 KMT2A (0.73) MEN1KMT2ARAB9AMRGPRX4MAPT
SCHEMBL6798209 0.72 KMT2A (0.73) MEN1KMT2ARAB9AMRGPRX4MAPT

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-0920430-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
WO-1998007725-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed