SCHEMBL10988231

SCHEMBL10988231

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 7/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 7/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 5/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.43
ALK Q9UM73 1/20 0.43
ACACA Q13085 1/20 0.42

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
SCHEMBL8675465 0.86 MAPT (0.59) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL10991494 0.86 KDM4E (0.58) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL10976797 0.86 KDM4E (0.58) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL10993183 0.84 SQOR (0.53) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL5359428 0.84 NPC1 (0.59) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL10992874 0.84 ACHE (0.49) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL10988161 0.84 PIK3CA (0.50) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL10992758 0.81 ACP1 (0.46) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL8680387 0.81 MAPT (0.56) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL8677193 0.80 MAPT (0.52) KMT2AKDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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