SCHEMBL18434844

SCHEMBL18434844

CN(C)CCNc1ccnc2c3c(ccc12)-c1ccccc1SN3

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 8/20 0.63
▸ CYP2C19 P33261 1/20 0.39
▸ FERMT2 Q96AC1 1/20 0.38
▸ HTR1A P08908 3/20 0.38
▸ ADRA1D P25100 3/20 0.38
▸ ADRA1A P35348 3/20 0.38
▸ ADRA1B P35368 3/20 0.38
▸ NCF1 P14598 2/20 0.36
▸ KAT2B Q92831 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ALPG P10696 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAD52 P43351 1/20 0.34

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
SCHEMBL18434500 0.87 SLC40A1 (0.63) SLC40A1CYP2C19NCF1KAT2BSLC2A1
SCHEMBL18434832 0.82 SLC40A1 (0.58) SLC40A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL11972937 0.78 SLC40A1 (1.00) SLC40A1KDM4EALDH1A1
SCHEMBL18434654 0.77 SLC40A1 (0.58) SLC40A1ALDH1A1POLB
SCHEMBL18434626 0.75 SLC40A1 (0.41) SLC40A1KDM4E
SCHEMBL18434402 0.74 SLC40A1 (0.60) SLC40A1ALDH1A1
SCHEMBL18434697 0.74 SLC40A1 (0.67) SLC40A1KDM4EALDH1A1RAD52
SCHEMBL18434846 0.73 SLC40A1 (0.39) SLC40A1
SCHEMBL11973691 0.73 SLC40A1 (0.55) SLC40A1NCF1
SCHEMBL18434792 0.73 SLC40A1 (0.55) SLC40A1HTR1AKDM4EALDH1A1

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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