SCHEMBL11388652

SCHEMBL11388652

Clc1ccc(Nc2nc3ccccc3o2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.73
RAB9A P51151 8/20 0.73
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
C1R P00736 6/20 0.53
KCNH2 Q12809 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.48
MAPT P10636 2/20 0.48
CSNK1D P48730 1/20 0.47
ATM Q13315 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
SCHEMBL11379454 0.88 NPC1 (0.73) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL19899736 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL11378058 0.82 NPC1 (0.57) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL27596616 0.82 NPC1 (0.64) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL3949035 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL2433790 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL11385445 0.78 NPC1 (0.80) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL27578613 0.78 RAB9A (0.57) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL14591725 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL27578582 0.77 RAB9A (0.69) NPC1RAB9ASMN1; SMN2GAAALDH1A1

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
US-4275210-A IMMUNOSUPPRESSIVE AGENTS, ANTIFERTILITY AGENTS, PROPHYLAXIS OF MAREK'S DISEASE IN CHICKENS AND HERBICIDES ELI LILLY AND COMPANY (US) 1981-06-23 US disclosed
US-4088770-A ANTIFERTILITY, HERBICIDES ELI LILLY AND COMPANY (US) 1978-05-09 US disclosed