SCHEMBL28529359

SCHEMBL28529359

CCCCCCc1nnnnc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ PTGS2 P35354 3/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ TACR2 P21452 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SHBG P04278 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSPD1 P10809 1/20 0.35
▸ ADRB3 P13945 1/20 0.35

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
SCHEMBL3265562 0.87 MEN1 (0.39) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29151924 0.75 ALDH1A1 (0.36) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27705339 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATSHRKCNH2
Bromide SCHEMBL25430864 0.73 ALDH1A1 (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A
Iodide SCHEMBL27475412 0.73 ALDH1A1 (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8027987 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL440580 0.71 TYR (0.37) ALDH1A1MEN1KMT2AKCNH2GCGR
SCHEMBL10815973 0.71 MEN1 (0.37) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL19625907 0.70 KCNH2 (0.46) ALDH1A1MEN1KMT2ATSHRKCNH2
SCHEMBL28572772 0.69 ALDH1A1 (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709393-B Reaction products containing urethane and urea groups 毕克化学有限公司 2020-11-06 — — CN disclosed
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