SCHEMBL6665622

SCHEMBL6665622

Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3F)c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
DHODH Q02127 10/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DHFR P00374 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
LMNA P02545 1/20 0.40
ESRRB O95718 2/20 0.40
ESRRA P11474 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6662378 0.83 DHODH (0.50) ESR1ESR2DHODHMEN1KMT2A
SCHEMBL6661091 0.78 DHODH (0.50) DHODHDHFRALKBH5
SCHEMBL6660161 0.76 ESR1 (0.65) ESR1ESR2MEN1KMT2AESRRB
SCHEMBL6663329 0.76 ESR1 (0.69) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL8956069 0.74 LMNA (0.51) ESR1ESR2DHODHLMNAGAA
SCHEMBL3897673 0.72 ADORA1 (0.54) ESR1ESR2MEN1KMT2AESRRB
SCHEMBL4558537 0.71 KMT2A (0.55) ESR1ESR2DHODHMEN1KMT2A
SCHEMBL28160160 0.71 LMNA (0.57) DHODHDHFRALKBH5LMNA
SCHEMBL8112060 0.69 KMT2A (0.71) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL3928076 0.69 DHODH (0.50) ESR1ESR2DHODHMEN1KMT2A

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