SCHEMBL22340253

SCHEMBL22340253

COc1ccc(C2=CCN(C=O)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.46
SIGMAR1 Q99720 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
PDE4D Q08499 1/20 0.43
PTGS2 P35354 5/20 0.41
PTGS1 P23219 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SUV39H2 Q9H5I1 3/20 0.40
MAPT P10636 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL22324848 0.80 QDPR (0.58) QDPRSIGMAR1CCNT1CDK9MEN1
SCHEMBL22340506 0.77 HTR1A (0.49) SIGMAR1MAPT
SCHEMBL13801238 0.76 MEN1 (0.47) MEN1POLBKMT2AMAPTKDM4E
SCHEMBL22324790 0.75 GRM1 (0.54) QDPRSUV39H2
SCHEMBL22340527 0.74 SLC6A4 (0.42) CCNT1CDK9PDE4D
SCHEMBL13801237 0.73 TNKS (0.51) CCNT1CDK9PDE4DPTGS2MAPT
SCHEMBL20500724 0.72 PTGS2 (0.45) CCNT1CDK9PDE4DPTGS2PTGS1
SCHEMBL14141231 0.72 L3MBTL1 (0.48) MEN1KMT2AALDH1A1ALOX15RAB9A
SCHEMBL22340528 0.69 MEN1 (0.46) QDPRPDE4DMEN1POLBKMT2A
SCHEMBL12326172 0.69 PTGS2 (0.53) PTGS2PTGS1MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed