SCHEMBL6661826

SCHEMBL6661826

Oc1c(-c2ccccc2)c(-c2ccc(F)cc2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
LMNA P02545 1/20 0.53
DHODH Q02127 7/20 0.50
PRKAA2 P54646 1/20 0.49
PDE10A Q9Y233 1/20 0.49
MAPK10 P53779 1/20 0.49
MAPK14 Q16539 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SCN9A Q15858 1/20 0.46
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
TACR3 P29371 1/20 0.43

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
SCHEMBL6662145 0.87 DHODH (0.56) ADORA2ALMNADHODH
SCHEMBL8956276 0.79 KDM4E (0.58) ADORA2ALMNADHODHPRKAA2MAPK10
SCHEMBL8956269 0.79 KDM4E (0.58) ADORA2ALMNADHODHPRKAA2MAPK10
SCHEMBL28027827 0.78 ADORA2A (0.53) ADORA2ALMNADHODHPRKAA2PDE10A
SCHEMBL6662378 0.78 DHODH (0.50) ADORA2ADHODHMEN1KMT2A
SCHEMBL28215884 0.77 MAPK14 (0.75) ADORA2ALMNAMAPK10MAPK14MEN1
SCHEMBL28232225 0.76 ADORA2A (0.67) ADORA2AMAPK10MAPK14KMT2ASCN9A
SCHEMBL3434573 0.76 DHODH (0.66) ADORA2ALMNADHODHPDE10AMEN1
SCHEMBL6661091 0.76 DHODH (0.50) DHODH
Benzene SCHEMBL8658654 0.75 ADORA2A (0.49) ADORA2ALMNADHODHPRKAA2MAPK10

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-0861864-B1 Method of preparation of polyquinolines HITACHI CHEMICAL CO LTD (JP) 2004-08-25 EP disclosed
EP-0861864-A2 Method of preparation of polyquinolines HITACHI CHEMICAL CO., LTD. (JP) 1998-09-02 EP disclosed
US-5786071-A Method of preparation of polyquinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-07-28 US disclosed
US-5723573-A ACETYLENIC END GROUPS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-03-03 US disclosed
US-5648448-A Method of preparation of polyquinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-15 US disclosed