SCHEMBL5518604

SCHEMBL5518604

CNc1cc(F)c(NC)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.35
TSHR P16473 1/20 0.33
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
RECQL P46063 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1637217 0.80 RAPGEF4 (0.46) RAPGEF4TSHRKCNH2
SCHEMBL2541480 0.80 RAPGEF4 (0.48) RAPGEF4ALDH1A1
SCHEMBL5516191 0.78 HDAC1 (0.41) RAPGEF4TSHRKCNH2ALDH1A1
SCHEMBL5522888 0.78 RAPGEF4 (0.46) RAPGEF4TSHRALDH1A1
SCHEMBL25082732 0.76 KCNH2 (0.34) RAPGEF4TSHRKCNH2
SCHEMBL5513090 0.76 RAPGEF4 (0.39) RAPGEF4
SCHEMBL5517876 0.76 MEP1B (0.37) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL21482204 0.76 TAAR1 (0.39) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL5515615 0.76 HDAC1 (0.40) RAPGEF4TSHRKCNH2
SCHEMBL5510318 0.76 TSHR (0.32) RAPGEF4TSHRKCNH2

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
WO-2022246086-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 WO disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed