SCHEMBL10639656

SCHEMBL10639656

Clc1nc(Cl)nc(Nc2nc3ccccc3o2)n1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.65
NPC1 O15118 10/20 0.65
MAPT P10636 8/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
PKM P14618 4/20 0.65
GAA P10253 2/20 0.60
ALDH1A1 P00352 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
TP53 P04637 2/20 0.56
ALOX15 P16050 2/20 0.56
LMNA P02545 1/20 0.56
NFKB1 P19838 1/20 0.49
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TSHR P16473 1/20 0.46
CSNK1D P48730 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL15022003 0.82 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL27886383 0.80 RAB9A (0.65) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL9911667 0.79 RAB9A (0.72) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL19899736 0.75 NPC1 (0.60) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL2658434 0.75 NPC1 (1.00) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL28637996 0.74 NPC1 (0.61) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL3949035 0.74 NPC1 (0.71) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL11376781 0.73 NPC1 (0.64) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL11385445 0.73 NPC1 (0.80) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL31095255 0.73 RAB9A (0.50) RAB9ANPC1MAPTSMN1; SMN2PKM

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-0258391-A1 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE POULENC NEDERLAND B.V. (NL) 1988-03-09 EP disclosed
WO-1987004321-A2 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE-POULENC NEDERLANDS B.V. (NL) 1987-07-30 WO disclosed