SCHEMBL29032383

SCHEMBL29032383

COc1cc(OCC=O)ccc1C(=O)Nc1nnc(-c2cccs2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 6/20 0.60
▸ KDM4E B2RXH2 9/20 0.58
▸ LMNA P02545 5/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ ADCY8 P40145 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MCOLN3 Q8TDD5 1/20 0.46
▸ RECQL P46063 1/20 0.45

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
SCHEMBL29032402 0.90 ADCY1 (0.63) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL30343003 0.89 KDM4E (0.72) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24145812 0.89 KDM4E (0.72) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL30342977 0.88 ADCY1 (0.61) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24145828 0.88 ADCY1 (0.61) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24145665 0.88 ADCY1 (0.61) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24154946 0.88 ADCY1 (0.60) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24145709 0.87 ADCY1 (0.59) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL29032464 0.87 ADCY1 (0.64) ADCY1KDM4ELMNANPC1RAB9A
SCHEMBL24145654 0.86 ADCY1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438174-A Compounds and their use as MIF inhibitors 南京艾美斐生物医药科技有限公司 2023-07-14 — — CN disclosed
EP-4168399-A1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-04-26 — — EP disclosed
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