SCHEMBL19062037

SCHEMBL19062037

Fc1ccc(CSC2=NCN(Cc3cccnc3)CN2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ GRIN1 Q05586 3/20 0.40
▸ GRIN2B Q13224 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ GFER P55789 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ NR1D1 P20393 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37

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
SCHEMBL19062034 0.89 GFER (0.44) HSD17B10ALDH1A1KDM4ETDP1KMT2A
SCHEMBL19061459 0.88 RAB9A (0.46) HSD17B10ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL19061875 0.88 ALDH1A1 (0.41) HSD17B10ALDH1A1KDM4ETDP1CHRNB2
SCHEMBL19019870 0.88 CHRNB2 (0.43) HSD17B10ALDH1A1KDM4ETDP1CHRNB2
SCHEMBL19061954 0.87 HSD17B10 (0.42) HSD17B10ALDH1A1KDM4ETDP1CHRNB2
SCHEMBL19061872 0.87 MAPK1 (0.41) ALDH1A1TDP1MAPK1MAPTL3MBTL1
SCHEMBL19061887 0.86 L3MBTL1 (0.51) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19019834 0.86 PLA2G7 (0.47) HSD17B10ALDH1A1CHRNB2CHRNA4KMT2A
SCHEMBL19019922 0.85 MAPK1 (0.50) HSD17B10ALDH1A1KDM4ETDP1CHRNB2
SCHEMBL19061952 0.85 CYP1A2 (0.51) HSD17B10KDM4ECHRNB2CHRNA4KMT2A

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-3184514-A1 AUTOPHAGY INHIBITORS Deutsches Krebsforschungszentrum (DE) 2017-06-28 — — EP disclosed
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