SCHEMBL5456403

SCHEMBL5456403

Cc1ccccc1C(=O)NC(=S)Nc1ncccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 1.00
NPC1 O15118 3/20 1.00
SMN1; SMN2 Q16637 3/20 0.70
ALDH1A1 P00352 11/20 0.62
KDM4E B2RXH2 2/20 0.62
POLB P06746 1/20 0.62
KMT2A Q03164 4/20 0.59
MAPT P10636 4/20 0.59
ALOX12 P18054 3/20 0.59
MEN1 O00255 2/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL5451730 0.86 NPC1 (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27726009 0.84 NPC1 (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5455495 0.80 ALDH1A1 (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL29331631 0.78 RAB9A (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5448102 0.78 ALDH1A1 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3397939 0.76 NPC1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL841777 0.76 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9818531 0.75 ALDH1A1 (0.77) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9728405 0.75 ALDH1A1 (0.77) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3140037 0.75 HPGD (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed