SCHEMBL5586231

SCHEMBL5586231

CCCCCCCCCCCCCCCCN(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.55
TSHR P16473 4/20 0.53
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TDP1 Q9NUW8 1/20 0.42
GBA1 P04062 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL28732085 1.00 DNM1 (0.55) DNM1TSHRALDH1A1THRBCA12
SCHEMBL27507411 1.00 DNM1 (0.55) DNM1TSHRALDH1A1THRBCA12
SCHEMBL15879122 1.00 DNM1 (0.55) DNM1TSHRALDH1A1THRBCA12
SCHEMBL5476005 1.00
SCHEMBL5586250 1.00 DNM1 (0.55) DNM1TSHRALDH1A1THRBCA12
SCHEMBL28332731 0.97 DNM1 (0.52) DNM1TSHRALDH1A1THRBCA12
SCHEMBL9835669 0.97
Hydrochloric Acid SCHEMBL11265767 0.94
Ethane SCHEMBL11663353 0.94 DNM1 (0.48) DNM1TSHRALDH1A1THRBCA12
SCHEMBL5586245 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 WO claimed
WO-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 WO disclosed