SCHEMBL24155055

SCHEMBL24155055

COc1cc(OC(C)(C)C)ccc1C(=O)Nc1nnc(-c2cccs2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 6/20 0.63
▸ KDM4E B2RXH2 10/20 0.61
▸ LMNA P02545 6/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ TDP1 Q9NUW8 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ USP2 O75604 2/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ ADCY8 P40145 1/20 0.52
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ HTT P42858 4/20 0.50
▸ MCOLN3 Q8TDD5 1/20 0.50
▸ STAT3 P40763 1/20 0.49
▸ RECQL P46063 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47

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
SCHEMBL30343012 0.92 ADCY1 (0.60) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24146035 0.92 ADCY1 (0.60) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL30343003 0.91 KDM4E (0.72) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24145812 0.91 KDM4E (0.72) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL29032402 0.89 ADCY1 (0.63) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL30343011 0.88 ADCY1 (0.55) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL27170276 0.88 ADCY1 (0.55) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24146061 0.85 KDM4E (0.63) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24145665 0.85 ADCY1 (0.61) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24145828 0.85 ADCY1 (0.61) ADCY1KDM4ELMNANPC1RAB9A

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
WO-2021258272-A1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2021-12-30 — — WO disclosed
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