SCHEMBL18595162

SCHEMBL18595162

CCC(C)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.76
▸ KMT2A Q03164 6/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ TSHR P16473 2/20 0.76
▸ MAPT P10636 2/20 0.76
▸ KDM4E B2RXH2 1/20 0.76
▸ CYP3A4 P08684 1/20 0.76
▸ ALOX15 P16050 1/20 0.76
▸ MAPK1 P28482 1/20 0.76
▸ HSD17B10 Q99714 1/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ LMNA P02545 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ MTNR1A P48039 2/20 0.62
▸ CTSC P53634 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ TACR3 P29371 1/20 0.61

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
SCHEMBL761706 0.89 MEN1 (0.75) MEN1KMT2AALDH1A1TSHRMAPT
Nematophin SCHEMBL29466301 0.88 MMP9 (0.65) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL17037428 0.86 MEN1 (0.70) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL10554058 0.85 MEN1 (0.64) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL7677879 0.84 MEN1 (0.67) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL9118606 0.84 MEN1 (0.71) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL6892616 0.81 KMT2A (0.83) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL6365945 0.81 MEN1 (0.65) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL15145390 0.81 CTSC (0.71) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL31114206 0.81 MTNR1A (0.76) MEN1KMT2ATSHRMAPTLMNA

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
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 — — US disclosed
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