SCHEMBL28261636

SCHEMBL28261636

c1csc(Cn2c(-c3cccs3)nc3ccccc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 1.00
▸ MAPT P10636 7/20 1.00
▸ HPGD P15428 7/20 1.00
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ HSD17B10 Q99714 4/20 1.00
▸ TSHR P16473 4/20 1.00
▸ ALDH1A1 P00352 8/20 0.70
▸ HTT P42858 1/20 0.70
▸ RCE1 Q9Y256 1/20 0.70
▸ TP53 P04637 3/20 0.70
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ LMNA P02545 4/20 0.67
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ ESR2 Q92731 1/20 0.51
▸ USP2 O75604 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL7861772 0.79 MAPT (0.66) KDM4EMAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL6277710 0.77 KDM4E (0.81) KDM4EMAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL9675696 0.76 TSHR (0.61) KDM4EMAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL982188 0.74 KDM4E (1.00) KDM4EMAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL14601420 0.73 KDM4E (0.57) KDM4EMAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL1544047 0.72 KDM4E (0.56) KDM4EMAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL8010723 0.72 ESR2 (0.79) KDM4EMAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL7725095 0.71 KDM4E (1.00) KDM4EMAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL2607499 0.70 KDM4E (0.64) KDM4EMAPTHPGDHSD17B10TSHR
SCHEMBL2607509 0.69 KDM4E (0.66) KDM4EMAPTHPGDALDH1A1HTT

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
CN-108997221-B Method for synthesizing 1, 2-disubstituted benzimidazole compound by using 3-hydroxy-2-naphthoic acid and dichlorotitanocene 陕西师范大学 2021-10-01 — — CN disclosed
CN-108997221-A The method that 3- hydroxy-2-naphthoic acid cooperates with cyclopentadienyl titanium dichloride synthesis 1,2- disubstituted benzenes and glyoxaline compound 陕西师范大学 2018-12-14 — — CN disclosed
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