SCHEMBL11272038

SCHEMBL11272038

CCOc1ccc(Oc2cc(C(C#N)C(CC=C(Br)Br)(C(=O)O)C(C)C)c3ccccc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 6/20 0.37
LMNA P02545 5/20 0.37
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
TP53 P04637 7/20 0.36
RXFP1 Q9HBX9 2/20 0.35
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 1/20 0.33
GUSB P08236 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL11295722 0.78 NPC1 (0.34) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL11272042 0.78 NPC1 (0.38) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL11301700 0.75 TP53 (0.38) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL11273014 0.71 PLA2G10 (0.36) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL11283398 0.66 TP53 (0.40) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL11273016 0.62 ALDH1A1 (0.36) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL11276788 0.60 SMN1; SMN2 (0.34) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL11283401 0.60 LMNA (0.35) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL27259333 0.58 LTA4H (0.46) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL27259421 0.56 RAB9A (0.49) NPC1RAB9ALMNAKDM4ESMN1; SMN2

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed