SCHEMBL4462942

SCHEMBL4462942

O=C(Nc1cccc(Cl)c1)c1ccccc1C(=O)c1ccc2n[c][nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 2/20 0.49
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ GRM5 P41594 5/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ F10 P00742 1/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ GRM4 Q14833 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KCNK3 O14649 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ P4HTM Q9NXG6 1/20 0.42

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
SCHEMBL3848659 0.88 MEN1 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4469804 0.88 HTT (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4459109 0.88 RAF1 (0.41) MEN1KMT2ASMN1; SMN2LMNATP53
SCHEMBL27919273 0.85 FADS1 (0.51) FADS1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL27901583 0.85 RXFP1 (0.55) P2RX1
SCHEMBL3848804 0.83 NPSR1 (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4464511 0.83 MAPT (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3848177 0.83 MAPT (0.44) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL4473204 0.81 NPC1 (0.41) NPC1RAB9AKMT2ALMNAMAPT
SCHEMBL3475822 0.79 RAF1 (0.59) FADS1NPC1RAB9AMEN1KMT2A

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO claimed
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