SCHEMBL6140845

SCHEMBL6140845

C=Cc1ccnc(CC)c1.CCC=Cc1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
POLB P06746 1/20 0.35
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL321696 0.84 CYP1A2 (0.44) CYP1A2POLBMAPTALDH1A1KDM4E
Bromide SCHEMBL28155749 0.83 CYP1A2 (0.43) CYP1A2POLBMAPTALDH1A1KDM4E
Iodide SCHEMBL27088326 0.83 CYP1A2 (0.43) CYP1A2POLBMAPTALDH1A1KDM4E
SCHEMBL151826 0.78 MAPT (0.47) CYP1A2CYP1A1CYP1B1ALOX5SMN1; SMN2
SCHEMBL151827 0.78 MAPT (0.47) CYP1A2CYP1A1CYP1B1ALOX5SMN1; SMN2
SCHEMBL7114375 0.75 CYP1A2 (0.33) CYP1A2POLB
SCHEMBL6140849 0.73 ALDH1A1 (0.34) CYP1A2CYP1A1CYP1B1ALOX5SMN1; SMN2
SCHEMBL9764334 0.72 KDM4E (0.49) CYP1A2POLBMAPTALDH1A1KDM4E
SCHEMBL659018 0.70 ALDH1A1 (0.52) ALDH1A1CHRNB2
SCHEMBL659019 0.70 ALDH1A1 (0.52) ALDH1A1CHRNB2

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-20050075266-A1 Polymers and process for controlling rheology of aqueous compositions CHANG CHING-JEN (US) 2005-04-07 US disclosed
EP-1520909-A1 Polymers and process for controlling rheology of aqueous compositions Rohm and Haas Company (US) 2005-04-06 EP disclosed