SCHEMBL20083997

SCHEMBL20083997

CN(CCO)CCc1cccc(C(=O)Nc2cccc(F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.53
▸ RAB9A P51151 7/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KCNK3 O14649 2/20 0.51
▸ KCNK9 Q9NPC2 1/20 0.51
▸ TSHR P16473 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL21844862 0.87 MEN1 (0.59) RAB9AKMT2AMEN1KCNK3KCNK9
SCHEMBL20083991 0.82 GRM4 (0.46) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL19157165 0.81 BCHE (0.59) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL21844847 0.80 TMEM97 (0.52) NPC1RAB9AKMT2AMEN1KCNK3
SCHEMBL19157637 0.77 NPC1 (0.50) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL15276892 0.76 MAPT (0.56) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL21844850 0.76 KDR (0.43) NPC1RAB9AKMT2AMEN1KCNK3
SCHEMBL20083999 0.76 KDR (0.43) KMT2AMEN1TSHRLMNA
SCHEMBL21844909 0.75 KMT2A (0.40) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL20083950 0.74 KDR (0.46) KMT2AMEN1TSHRLMNAMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 — — EP disclosed
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