SCHEMBL10969072

SCHEMBL10969072

CC(Cl)C(c1ccccc1)c1nnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KMT2A Q03164 3/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CASP1 P29466 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL11531757 0.85 KMT2A (0.35) TSHRKMT2AKDM4EATM
SCHEMBL7679328 0.78 KMT2A (0.41) KMT2AKDM4EMEN1LMNACASP1
SCHEMBL8090075 0.78 TSHR (0.39) TSHRKMT2AKDM4EATM
SCHEMBL7819515 0.71 HTR2A (0.39) TSHRKDM4ELMNA
SCHEMBL13159374 0.71 TRPA1 (0.44) LMNA
SCHEMBL9090435 0.71 CES2 (0.33) TSHRKMT2AKDM4ELMNAATM
SCHEMBL8090152 0.71 KMT2A (0.33) TSHRKMT2AKDM4EATM
SCHEMBL9384051 0.71 DPP4 (0.39) KMT2AATM
SCHEMBL9090443 0.71 SMN1; SMN2 (0.46) KDM4ELMNA
Hydrochloric Acid SCHEMBL9985742 0.69 DPP4 (0.38) KMT2AATM

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
EP-0135814-A1 1-(1H-tetrazol-5-ylalkoxy)-2-azetidinones E.R. Squibb & Sons, Inc. (US) 1985-04-03 EP disclosed