SCHEMBL8071727

SCHEMBL8071727

Cc1ccc(N)c(SSc2cc(C)ccc2N)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.83
RAB9A P51151 2/20 0.83
ALOX15 P16050 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
THRB P10828 1/20 0.56
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
G6PD P11413 1/20 0.50
IDE P14735 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
APOBEC3G Q9HC16 2/20 0.48
AAK1 Q2M2I8 1/20 0.45
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL21163854 0.89 NPC1 (0.75) NPC1RAB9AALOX15TDP1TP53
SCHEMBL9781542 0.85 NPC1 (0.63) NPC1RAB9AALOX15TDP1TP53
SCHEMBL18598660 0.83 TDP1 (0.61) NPC1RAB9AALOX15TDP1TP53
SCHEMBL8071723 0.81 NPC1 (0.59) NPC1RAB9AALOX15TDP1TP53
SCHEMBL6522420 0.80 NPC1 (0.83) NPC1RAB9AALOX15TDP1TP53
SCHEMBL31318268 0.80 NPC1 (0.83) NPC1RAB9AALOX15TDP1TP53
SCHEMBL11783655 0.78 NPC1 (0.54) NPC1RAB9AALOX15TDP1TP53
SCHEMBL14219137 0.78 NPC1 (0.55) NPC1RAB9AALOX15TDP1TP53
SCHEMBL13840027 0.76 NPC1 (0.53) NPC1RAB9AALOX15TDP1TP53
SCHEMBL8131924 0.76 NPC1 (0.53) NPC1RAB9AALOX15TDP1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118895096-A Epoxy adhesive with self-healing and shape memory and preparation method thereof 郑州大学 2024-11-05 CN claimed
CN-118895096-A Epoxy adhesive with self-healing and shape memory and preparation method thereof 郑州大学 2024-11-05 CN disclosed
EP-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
US-6051677-A Gas separating membrane having a polycarbodiimide resin layer NITTO DENKO CORPORATION (JP) 2000-04-18 US disclosed
US-5789428-A Amino-acid amide derivatives, processes for preparing the same, agricultural or horticultural fungicides, and method for killing fungi KUMIAI CHEMICAL INDUSTRY CO. LTD. (JP) 1998-08-04 US disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed