SCHEMBL19019863

SCHEMBL19019863

Fc1ccc(CN2CN=C(SCc3ccc(Br)cc3)NC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL19061440 0.89 MAPK1 (0.46) GAANPSR1TDP1SIGMAR1OPRL1
SCHEMBL19019884 0.89 MAPT (0.43) GAANPSR1OPRL1ABCB1TP53
SCHEMBL19019923 0.88 GAA (0.43) MGAMGAASIMGAM2HPGD
SCHEMBL19019905 0.87 ALDH1A1 (0.40) MGAMGAASIMGAM2POLB
SCHEMBL19019870 0.82 CHRNB2 (0.43) NPSR1POLBHPGDTDP1ALDH1A1
SCHEMBL14286352 0.82 OPRK1 (0.48) POLBKMT2AOPRK1SMN1; SMN2MAPK1
SCHEMBL19062009 0.82 KDM4E (0.39) GAAPOLBALDH1A1KDM4EKMT2A
SCHEMBL22263101 0.78 ALDH1A1 (0.49) GAANPSR1ALDH1A1OPRK1NPC1
SCHEMBL19019882 0.77 TRPV6 (0.43) NPSR1HPGDTDP1SIGMAR1OPRL1
SCHEMBL19061947 0.77 P2RX7 (0.44) GAAHPGDALDH1A1GFERKMT2A

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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