SCHEMBL7804458

SCHEMBL7804458

O=C(O)c1ccc(OCCc2ncc[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
TBXAS1 P24557 5/20 0.47
PLA2G4B P0C869 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45

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
SCHEMBL8685427 0.87 GAA (0.56) PKMALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL8690312 0.87 HRH3 (0.58) ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL8690703 0.85 MAPT (0.60) ALDH1A1KDM4EL3MBTL1LMNAHTT
SCHEMBL8685265 0.82 TDP1 (0.51) ALDH1A1TBXAS1L3MBTL1LMNATDP1
SCHEMBL11581355 0.81 TAAR1 (0.53) ALDH1A1TSHRTBXAS1LMNA
SCHEMBL8639331 0.79 LTA4H (0.49)
Hydrochloric Acid SCHEMBL8801622 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ETBXAS1LMNACYP4F2
SCHEMBL6181232 0.78 NPC1 (0.49) ALDH1A1TSHRTBXAS1MEN1KMT2A
SCHEMBL8684972 0.78 FPR2 (0.43) ALDH1A1KDM4EMAPK1LMNAKMT2A
SCHEMBL8690250 0.78 HRH3 (0.48) ALDH1A1MAPK1TP53MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed
US-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US disclosed
EP-0035863-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Limited (GB) 1983-10-26 EP disclosed