SCHEMBL23923650

SCHEMBL23923650

CN(C)CCCN(CCCCN(CCCN(C)C)CCCN(C)C)CCCN(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
TSHR P16473 1/20 0.67
DNM1 Q05193 3/20 0.53
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL23939990 1.00 ALDH1A1 (0.67) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL757212 0.96 ALDH1A1 (0.71) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL15620 0.96 ALDH1A1 (0.60) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL5989685 0.93 ALDH1A1 (0.79) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL755914 0.93 ALDH1A1 (0.79) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL10790523 0.89 ALDH1A1 (0.83) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL20017066 0.87 TSHR (0.50) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL11209342 0.86 DNM1 (0.79) ALDH1A1TSHRDNM1CA12CA2
SCHEMBL9777546 0.86 ALDH1A1 (0.50) ALDH1A1TSHRDNM1TDP1HSD17B10
SCHEMBL24508283 0.86 DNM1 (0.79) ALDH1A1TSHRDNM1CA12CA2

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-20210323844-A1 FORMING A TREATED SWITCHABLE POLYMER AND USE THEREOF IN A FORWARD OSMOSIS SYSTEM QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-10-21 US claimed
US-20210323844-A1 FORMING A TREATED SWITCHABLE POLYMER AND USE THEREOF IN A FORWARD OSMOSIS SYSTEM QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-10-21 US disclosed
US-20210323844-A1 FORMING A TREATED SWITCHABLE POLYMER AND USE THEREOF IN A FORWARD OSMOSIS SYSTEM QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-10-21 US disclosed