SCHEMBL6406262

SCHEMBL6406262

C=CCc1cccc(-c2cc(N)ccc2N)c1CC=C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
AKR1B1 P15121 1/20 0.38
IMPDH2 P12268 1/20 0.36
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPRC P08575 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
LMNA P02545 1/20 0.31
PLA2G1B P04054 1/20 0.31

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
Charcoal, Activated SCHEMBL10902872 0.84 GABRA1 (0.42) GABRA1GABRB2AKR1B1IMPDH2NPC1
SCHEMBL1646866 0.84 GABRA1 (0.49) GABRA1GABRB2AKR1B1IMPDH2ALDH1A1
SCHEMBL2362269 0.82 GABRA1 (0.61) GABRA1GABRB2AKR1B1ALDH1A1CYP3A4
SCHEMBL5403129 0.77 GABRA1 (0.55) GABRA1GABRB2AKR1B1ALDH1A1CYP3A4
SCHEMBL1570705 0.75 GABRA1 (0.47) GABRA1GABRB2AKR1B1IMPDH2ALDH1A1
SCHEMBL10439799 0.74 PTPRC (0.50) GABRA1GABRB2AKR1B1NPC1ALDH1A1
SCHEMBL31290769 0.74 GABRA1 (0.41) GABRA1GABRB2IMPDH2ALDH1A1CYP3A4
SCHEMBL454406 0.74 GABRA1 (0.41) GABRA1GABRB2IMPDH2ALDH1A1CYP3A4
SCHEMBL5824164 0.74 GABRA1 (0.47) GABRA1GABRB2AKR1B1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL4050779 0.73 GABRA1 (0.46) GABRA1GABRB2AKR1B1IMPDH2ALDH1A1

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
US-6875730-B2 Lubricant for refrigerating machine employing ammonia refrigerant ASAHI DENKA KOGYO K.K. (JP) 2005-04-05 US disclosed
US-6548457-B1 Lubricant for a compression type refrigeration system using ammonia as a refrigerant, containing a polyether compound, a an aromatic diamine or, phenothiazine or derivetives, and an alcohol or ester or ether derivatives of polyhydric alcohol JAPAN ENERGY CORPORATION (JP) 2003-04-15 US disclosed
US-20030027729-A1 Lubricant for refrigerating machine employing ammonia refrigerant ADEKA CORPORATION (JP) 2003-02-06 US disclosed
EP-1251162-A1 LUBRICANT FOR REFRIGERATING MACHINE EMPLOYING AMMONIA REFRIGERANT Japan Energy Corporation (JP) 2002-10-23 EP disclosed
EP-1088883-A1 LUBRICANT FOR REFRIGERATING MACHINE EMPLOYING AMMONIA REFRIGERANT JAPAN ENERGY CORPORATION (JP) 2001-04-04 EP disclosed