SCHEMBL6661091

SCHEMBL6661091

Oc1c(-c2ccccc2)c(-c2ccccc2)nc2ccc(-c3ccccc3F)cc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 16/20 0.50
DHFR P00374 1/20 0.48
ALKBH5 Q6P6C2 1/20 0.48
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
MAP4K4 O95819 1/20 0.46
BACE1 P56817 1/20 0.45
ACMSD Q8TDX5 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 0.83 DHODH (0.56) DHODH
SCHEMBL6665622 0.78 ESR1 (0.48) DHODHDHFRALKBH5
SCHEMBL6661826 0.76 ADORA2A (0.53) DHODH
SCHEMBL10580409 0.71 DHODH (0.80) DHODHDHFRALKBH5
SCHEMBL12111550 0.71 PIK3R1 (0.56) DHODHDHFRALKBH5PIK3R1PIK3CA
SCHEMBL12111662 0.71 PIK3R1 (0.56) DHODHDHFRALKBH5PIK3R1PIK3CA
SCHEMBL12111551 0.71 PIK3R1 (0.56) DHODHDHFRALKBH5PIK3R1PIK3CA
SCHEMBL12111629 0.71 PIK3R1 (0.56) DHODHDHFRALKBH5PIK3R1PIK3CA
SCHEMBL6662378 0.69 DHODH (0.50) DHODH
SCHEMBL8956069 0.69 LMNA (0.51) DHODH

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