SCHEMBL3444657

SCHEMBL3444657

O=C(c1cccc(C(=O)c2ccccc2Cl)c1)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 7/20 0.54
POLB P06746 4/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
RECQL P46063 1/20 0.53
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SMO Q99835 1/20 0.47
AKR1C3 P42330 1/20 0.47

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
SCHEMBL11504460 0.93 ALDH1A1 (0.57) KMT2ACES2CES1ATMTDP1
SCHEMBL3179857 0.90 RECQL (0.57) KMT2ACES2CES1ALDH1A1POLB
SCHEMBL9619660 0.89 NR4A1 (0.57) KMT2ACES2CES1ATMTDP1
SCHEMBL28879955 0.87 MAPT (0.61) KMT2ACES2CES1TDP1L3MBTL1
SCHEMBL9756835 0.87 KMT2A (0.49) KMT2ACES2CES1ATMTDP1
SCHEMBL49873 0.87 KMT2A (0.65) KMT2ACES2CES1L3MBTL1ALDH1A1
SCHEMBL29434816 0.87 KMT2A (0.65) KMT2ACES2CES1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL27671270 0.86 CES2 (0.52) KMT2ACES2CES1ALDH1A1POLB
Hydrochloric Acid SCHEMBL4594716 0.85 KMT2A (0.62) KMT2ACES2CES1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4594710 0.85 KMT2A (0.62) KMT2ACES2CES1L3MBTL1ALDH1A1

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
US-7816053-B2 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. (JP) 2010-10-19 US disclosed
US-20060280991-A1 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. 2006-12-14 US disclosed