SCHEMBL9155259

SCHEMBL9155259

NCCSc1cc(N)[n+]([O-])c(N)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33

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
SCHEMBL9159235 0.86 ALDH1A1 (0.35) KMT2A
SCHEMBL6397360 0.68 NOS3 (0.31)
SCHEMBL8084685 0.66 KMT2A (0.49) KMT2AKDM4EABL1RIN1
SCHEMBL9360688 0.65
SCHEMBL2292431 0.65 KDM4E (0.31) KDM4E
Water SCHEMBL10474570 0.63
SCHEMBL9157380 0.61
SCHEMBL11189602 0.61 KDM4E (0.46) KMT2AKDM4E
SCHEMBL6403682 0.61 ALDH1A1 (0.41) KMT2AKDM4E
SCHEMBL9158082 0.60

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
US-5466694-A Hair growth regulators L'OREAL (FR) 1995-11-14 US disclosed