SCHEMBL10993183

SCHEMBL10993183

COc1ccc(-c2ccc(-c3ccc(F)cc3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.53
MAPT P10636 6/20 0.52
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
KMT2A Q03164 3/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.46
MAPK14 Q16539 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK13 O15264 1/20 0.46
ALOX5 P09917 1/20 0.46
GCGR P47871 1/20 0.46
MAPK12 P53778 1/20 0.46

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
SCHEMBL8677193 0.94 MAPT (0.52) SQORMAPTCYP1A1CYP1B1KMT2A
SCHEMBL10991494 0.86 KDM4E (0.58) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL10976797 0.86 KDM4E (0.58) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL8675465 0.86 MAPT (0.59) MAPTCYP1A1CYP1B1KMT2ANPC1
SCHEMBL8676788 0.85 MAPT (0.50) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL10992874 0.84 ACHE (0.49) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL10988231 0.84 KMT2A (0.48) MAPTCYP1A1CYP1B1KMT2ANPC1
SCHEMBL10988161 0.84 PIK3CA (0.50) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL5359428 0.84 NPC1 (0.59) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL10992758 0.84 ACP1 (0.46) KMT2ANPC1RAB9AKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4533666-A ANALGESICS, ANTIPYRETICS ELI LILLY AND COMPANY (US) 1985-08-06 US claimed
EP-0130044-A1 Pyridine derivatives ELI LILLY AND COMPANY (US) 1985-01-02 EP claimed
US-4533666-A ANALGESICS, ANTIPYRETICS ELI LILLY AND COMPANY (US) 1985-08-06 US disclosed
EP-0130044-A1 Pyridine derivatives ELI LILLY AND COMPANY (US) 1985-01-02 EP disclosed