SCHEMBL9645476

SCHEMBL9645476

CCC(=O)N1C(=O)CC=CN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
POLB P06746 1/20 0.37
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
SHMT2 P34897 1/20 0.35
CES1 P23141 1/20 0.35
MT-CO2 P00403 1/20 0.35
ALOX5 P09917 1/20 0.35
ELANE P08246 1/20 0.34

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
SCHEMBL9645259 0.80 NPC1 (0.45) LMNAPOLBMEN1TSHRKMT2A
SCHEMBL9645288 0.70 GAA (0.44) LMNATSHRKDM4ESMN1; SMN2GAA
SCHEMBL20100975 0.70 POLB (0.34) LMNABLMPOLBHTTKDM4E
SCHEMBL9645470 0.69 POLB (0.42) LMNABLMPOLBHTTMEN1
SCHEMBL9645295 0.67 GSK3A (0.40) POLBGAAALDH1A1ELANE
SCHEMBL7871541 0.65 ALDH1A1 (0.34) POLBMEN1TSHRKMT2AKDM4E
SCHEMBL13206143 0.65 LMNA (0.47) LMNABLMHTTMEN1KMT2A
SCHEMBL14045038 0.62 MEN1 (0.56) LMNABLMPOLBHTTMEN1
SCHEMBL12781874 0.62 MAPT (0.70) LMNABLMMEN1KMT2ASMN1; SMN2
SCHEMBL9645196 0.61 LMNA (0.37) LMNABLMHTTMEN1TSHR

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
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed