SCHEMBL25583322

SCHEMBL25583322

O=C(c1ccccc1)c1cc[n+](-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ SRD5A2 P31213 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ PBRM1 Q86U86 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ ELANE P08246 1/20 0.42

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
SCHEMBL1108033 0.86 RAB9A (0.55) ALDH1A1L3MBTL1SRD5A2ATMTDP1
SCHEMBL12239728 0.86 RAB9A (0.50) ALDH1A1L3MBTL1SRD5A2ATMTDP1
SCHEMBL126404 0.84 TSHR (0.56) ALDH1A1SRD5A2MEN1KMT2AFFAR1
SCHEMBL12544643 0.83 RAB9A (0.56) ALDH1A1L3MBTL1SRD5A2ATMTDP1
SCHEMBL13343252 0.81 POLB (0.60) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL13355627 0.80 MEN1 (0.68) ALDH1A1L3MBTL1SRD5A2ATMTDP1
Hydrochloric Acid SCHEMBL8130912 0.79 POLB (0.58) ALDH1A1L3MBTL1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL3530738 0.79 POLB (0.58) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL12948078 0.79 ALDH1A1 (0.52) ALDH1A1SRD5A2MEN1KMT2ARAB9A
Benzophenone SCHEMBL30537001 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1SRD5A2ATMTDP1

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
US-20230178784-A1 REDOX RELAY FLOW BATTERIES AND METHODS OF MAKING THE SAME OHIO STATE INNOVATION FOUNDATION 2023-06-08 — — US disclosed
Send feedback