SCHEMBL11270185

SCHEMBL11270185

O=C(CNC1CCCCCC1)Nc1nc2cc3nc(NC(=O)CNC4CCCCCC4)sc3cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.51
▸ NPC1 O15118 10/20 0.50
▸ RAB9A P51151 9/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ CSNK1D P48730 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ CLK1 P49759 2/20 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
SCHEMBL11253474 1.00 MGLL (0.51) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL11256907 0.99 MGLL (0.49) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL11265265 0.93 NPC1 (0.47) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL11268027 0.88 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11263345 0.83 NPC1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11273172 0.81 ALDH1A1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18154231 0.78 HDAC3 (0.57) NPC1RAB9ACSNK1DALDH1A1MAPT
SCHEMBL11271022 0.78 CSNK1D (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11255508 0.76 RAB9A (0.49) NPC1RAB9AKMT2ASMN1; SMN2CSNK1D
SCHEMBL11269060 0.75 KMT2A (0.51) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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