SCHEMBL8689140

SCHEMBL8689140

CCc1c(C(=O)O)c2c([nH]c1=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
PKM P14618 1/20 0.44
USP2 O75604 1/20 0.42
KDM4E B2RXH2 7/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.36
HIF1A Q16665 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TSHR P16473 1/20 0.36
PTK2 Q05397 1/20 0.36
PARP1 P09874 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL26104648 0.72 PDE9A (0.47) LMNAPKMUSP2KDM4EPOLB
SCHEMBL18320548 0.71 USP2 (0.48) LMNAPKMUSP2KDM4EPOLB
SCHEMBL8123253 0.70 USP2 (0.67) LMNAPKMUSP2KDM4EPOLB
SCHEMBL14969112 0.66 ALOX15 (0.44) LMNAPKMUSP2KDM4EPOLB
SCHEMBL8525719 0.66 PTK2 (0.65) LMNASMN1; SMN2ALOX15MAPTALDH1A1
SCHEMBL26104687 0.65 POLB (0.72) LMNAUSP2KDM4EPOLBALOX15
SCHEMBL21963156 0.63 ALOX15 (0.91) LMNAPKMUSP2KDM4EPOLB
SCHEMBL1062502 0.63 LMNA (1.00) LMNAPKMUSP2KDM4EPOLB
SCHEMBL8114138 0.62 USP2 (0.94) LMNAPKMUSP2KDM4EPOLB
SCHEMBL7434293 0.62 KDM4E (0.71) LMNAKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821248-A SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1998-10-13 US disclosed
US-5698568-A Quinuclidine derivatives PFIZER INC. (US) 1997-12-16 US disclosed
US-5641786-A Quinuclidine derivatives LOWE III JOHN ADAMS (US) 1997-06-24 US disclosed
US-5422354-A Quinuclidine derivatives PFIZER INC (US) 1995-06-06 US disclosed
WO-1992001688-A1 QUINUCLIDINE DERIVATIVES PFIZER INC. (US) 1992-02-06 WO disclosed