SCHEMBL9954148

SCHEMBL9954148

NC1(N)C=CC(C(=O)c2ccccc2)=CC1(N)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
SRD5A2 P31213 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
HPGDS O60760 1/20 0.38
PBRM1 Q86U86 1/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL8010079 0.85 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1ATMSRD5A2
SCHEMBL8624753 0.82 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1ATMSRD5A2
SCHEMBL2404185 0.75 ALDH1A1 (0.45) ALDH1A1TDP1L3MBTL1ATMSRD5A2
Hydrochloric Acid SCHEMBL7192938 0.74 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1ATMSRD5A2
SCHEMBL528382 0.72 ALDH1A1 (0.42) ALDH1A1TDP1L3MBTL1ATMSRD5A2
Benzophenone SCHEMBL28991975 0.71 ALDH1A1 (0.45) ALDH1A1TDP1L3MBTL1ATMSRD5A2
SCHEMBL2164754 0.71 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1ATMSRD5A2
Hydrochloric Acid SCHEMBL8844133 0.69 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1ATMSRD5A2
Benzophenone SCHEMBL29023256 0.68 ALDH1A1 (0.93) ALDH1A1TDP1L3MBTL1ATMSRD5A2
Benzophenone SCHEMBL28761922 0.68 ALDH1A1 (0.93) ALDH1A1TDP1L3MBTL1ATMSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3850697-A1 POLYBENZIMIDAZOLE (PBI) MEMBRANES FOR REDOX FLOW BATTERIES University of South Carolina (US) 2021-07-21 EP claimed
WO-2020056275-A1 POLYBENZIMIDAZOLE (PBI) MEMBRANES FOR REDOX FLOW BATTERIES UNIVERSITY OF SOUTH CAROLINA (US) 2020-03-19 WO claimed
EP-3850697-A1 POLYBENZIMIDAZOLE (PBI) MEMBRANES FOR REDOX FLOW BATTERIES University of South Carolina (US) 2021-07-21 EP disclosed
WO-2020056275-A1 POLYBENZIMIDAZOLE (PBI) MEMBRANES FOR REDOX FLOW BATTERIES UNIVERSITY OF SOUTH CAROLINA (US) 2020-03-19 WO disclosed
WO-2012087442-A1 POLYBENZIMIDAZOLE SOLUTION IN AN IONIC LIQUID PBI PERFORMANCE PRODUCTS, INC. (US) 2012-06-28 WO disclosed