SCHEMBL18434505

SCHEMBL18434505

[O-][S+]1Nc2c(cc(N3CCOCC3)c3cccnc23)-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 8/20 0.60
▸ METAP1 P53582 1/20 0.41
▸ NCF1 P14598 2/20 0.37
▸ KCNMA1 Q12791 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ ATRIP Q8WXE1 1/20 0.36
▸ PIK3CA P42336 3/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3R2 O00459 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL18434854 0.89 SLC40A1 (0.59) SLC40A1METAP1NCF1KCNMA1CCNT1
SCHEMBL18434621 0.81 SLC40A1 (0.65) SLC40A1
SCHEMBL18434820 0.81 SLC40A1 (0.49) SLC40A1
SCHEMBL18434712 0.80 SLC40A1 (0.64) SLC40A1MAPTTSHRMAPK1
SCHEMBL18434504 0.77 SLC40A1 (0.62) SLC40A1METAP1NCF1ATRATRIP
SCHEMBL18434688 0.76 SLC40A1 (0.53) SLC40A1MAPT
SCHEMBL18434660 0.76 SLC40A1 (0.53) SLC40A1CDK2MAPT
SCHEMBL11972906 0.75 SLC40A1 (1.00) SLC40A1
SCHEMBL18434471 0.71 SLC40A1 (0.66) SLC40A1MAPTTSHR
SCHEMBL18434701 0.69 SLC40A1 (0.67) SLC40A1MAPTTSHRMAPK1

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
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 — — EP disclosed
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