SCHEMBL3720074

SCHEMBL3720074

CCc1ccc2nc(Oc3ccc(NC(C)C)nc3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
ELANE P08246 1/20 0.35
SCN9A Q15858 11/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
HCAR3 P49019 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAP4K4 O95819 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL3720129 0.88 ACACB (0.37) SCN9AMAPTHCAR3
SCHEMBL3721953 0.88 SCN9A (0.36) SCN9AMAP4K4
SCHEMBL3720524 0.83 SMN1; SMN2 (0.39) ELANESCN9ASMN1; SMN2NPC1RAB9A
SCHEMBL3722768 0.83 MTNR1A (0.50) SCN9ASMN1; SMN2
SCHEMBL3721952 0.82 SCN9A (0.37) SCN9AHCAR3MAP4K4
SCHEMBL3720127 0.80 PDE4B (0.49) SCN9AHCAR3
SCHEMBL22521622 0.79 ELANE (0.45) ELANESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3716766 0.77 SMN1; SMN2 (0.43) SCN9ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3722765 0.77 ACACB (0.45) SCN9A
SCHEMBL3725263 0.73 MAPT (0.42) SMN1; SMN2NPC1RAB9AMAPTCYP1A2

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed