SCHEMBL4964688

SCHEMBL4964688

O=C(NCCc1ccncc1)c1cccs1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.78
▸ RAB9A P51151 7/20 0.78
▸ SMN1; SMN2 Q16637 7/20 0.78
▸ MAPT P10636 1/20 0.72
▸ CYP1A2 P05177 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ KDM4E B2RXH2 1/20 0.64
▸ HTT P42858 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ GAA P10253 1/20 0.55

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
SCHEMBL11276433 0.88 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL5186044 0.84 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL8616834 0.78 KDM4E (0.59) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL1587424 0.78 HDAC6 (0.55) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL711885 0.78 NPC1 (0.91) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL30031669 0.77 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL8966500 0.77 GAA (0.68) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL6127192 0.77 KDM4E (0.89) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL4578939 0.77 KDM4E (0.77) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL4578943 0.77 KDM4E (0.77) NPC1RAB9ASMN1; SMN2MAPTCYP1A2

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-1904472-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2008-04-02 — — EP disclosed
WO-2007010954-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-01-25 — — WO disclosed
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