SCHEMBL29947730

SCHEMBL29947730

O=C(O)c1ccc2nc(N3CCC(C(=O)O)CC3)sc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.78
TP53 P04637 4/20 0.78
NPC1 O15118 3/20 0.78
RAB9A P51151 3/20 0.78
MITF O75030 1/20 0.78
NFKB1 P19838 1/20 0.78
NFKB2 Q00653 1/20 0.78
RELA Q04206 1/20 0.78
TMPRSS15 P98073 3/20 0.66
MAPK1 P28482 1/20 0.58
MAPT P10636 3/20 0.55
NR1H4 Q96RI1 3/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL24729260 1.00 SMN1; SMN2 (0.78) SMN1; SMN2TP53NPC1RAB9AMITF
SCHEMBL25411373 0.87 SMN1; SMN2 (0.73) SMN1; SMN2TP53NPC1RAB9AMITF
SCHEMBL30826521 0.87 SMN1; SMN2 (0.73) SMN1; SMN2TP53NPC1RAB9AMITF
SCHEMBL24729352 0.86 NPC1 (0.71) SMN1; SMN2TP53NPC1RAB9AMITF
SCHEMBL29947690 0.86 NPC1 (0.71) SMN1; SMN2TP53NPC1RAB9AMITF
SCHEMBL25411186 0.84 TMPRSS15 (0.70) SMN1; SMN2TP53NPC1RAB9AMITF
SCHEMBL30826524 0.84 TMPRSS15 (0.70) SMN1; SMN2TP53NPC1RAB9AMITF
SCHEMBL29947574 0.84 TP53 (0.66) SMN1; SMN2TP53NPC1RAB9AMITF
SCHEMBL24729263 0.84 TP53 (0.66) SMN1; SMN2TP53NPC1RAB9AMITF
SCHEMBL20632452 0.84 NPC1 (0.73) SMN1; SMN2TP53NPC1RAB9AMITF

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
WO-2022240213-A1 NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE 에이치케이이노엔 주식회사 2022-11-17 WO claimed
WO-2022240213-A1 NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE 에이치케이이노엔 주식회사 2022-11-17 WO disclosed