SCHEMBL18434626

SCHEMBL18434626

CCc1ccnc2c3c(ccc12)-c1ccccc1SN3

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 15/20 0.41
▸ TRPA1 O75762 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 1/20 0.31

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
SCHEMBL18434402 0.81 SLC40A1 (0.60) SLC40A1MAPT
SCHEMBL11973691 0.80 SLC40A1 (0.55) SLC40A1
SCHEMBL18434792 0.80 SLC40A1 (0.55) SLC40A1KDM4ELMNATP53MAPT
SCHEMBL18434832 0.79 SLC40A1 (0.58) SLC40A1
SCHEMBL18434654 0.79 SLC40A1 (0.58) SLC40A1LMNAMAPTTSHR
SCHEMBL18434662 0.79 SLC40A1 (0.58) SLC40A1
SCHEMBL11973237 0.79 SLC40A1 (0.49) SLC40A1
SCHEMBL11973717 0.78 SLC40A1 (0.47) SLC40A1KDM4E
SCHEMBL11973515 0.77 SLC40A1 (0.61) SLC40A1KDM4E
SCHEMBL11973273 0.77 SLC40A1 (0.63) SLC40A1

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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