SCHEMBL28533950

SCHEMBL28533950

Fc1cccc(NN2CCSCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 6/20 0.38
NPC1 O15118 7/20 0.37
MAPT P10636 2/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
IDO1 P14902 1/20 0.37
CYP2D6 P10635 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
SCHEMBL5547476 0.84 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL5550694 0.82 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL4786365 0.82 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL2406119 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL5551984 0.79 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4ECYP2D6
SCHEMBL4553592 0.77 CYP1A2 (0.36) ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL5547459 0.77 KDM4E (0.44) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL5550133 0.73 KDM4E (0.45) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL17287922 0.73 NPC1 (0.62) KMT2AALDH1A1KDM4ERAB9ANPC1
SCHEMBL20236578 0.73 ALDH1A1 (0.62) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2

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
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 CN disclosed