SCHEMBL30498402

SCHEMBL30498402

COCCn1ncc2ccc(Br)c(OC)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.38
CASR P41180 5/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
MAPK1 P28482 2/20 0.35
MPO P05164 1/20 0.35
MAOB P27338 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NQO2 P16083 1/20 0.34
MAOA P21397 1/20 0.34
ALOX5AP P20292 1/20 0.33

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
SCHEMBL27199500 1.00 HSD17B10 (0.39) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL25288618 0.87 ALDH1A1 (0.39) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL25234617 0.84 HTR2A (0.38) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL30498101 0.83 CASR (0.38) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL27199656 0.83 CASR (0.38) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL27199681 0.83 HSD17B10 (0.42) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL25753129 0.80 HTR2A (0.36) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL30498353 0.79 HTR2A (0.35) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL25283793 0.79 HTR2A (0.35) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL31359689 0.79 HTR2A (0.35) HSD17B10SMN1; SMN2KDM4ENPC1RAB9A

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-4448514-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2024-10-23 EP disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed