SCHEMBL23478902

SCHEMBL23478902

CCc1sc(-c2ccccc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
ALDH1A1 P00352 7/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
RAB9A P51151 8/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
NPC1 O15118 5/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.38
ADORA2A P29274 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 3/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL12231721 0.87 HSD17B1 (0.42) MAPTALDH1A1HSD17B1HSD17B2RAB9A
SCHEMBL27953535 0.83 HSD17B1 (0.45) MAPTALDH1A1HSD17B1HSD17B2RAB9A
SCHEMBL23733280 0.81 KDM4E (0.44) MAPTALDH1A1HSD17B1HSD17B2RAB9A
SCHEMBL23158894 0.79 MAPT (0.41) MAPTALDH1A1HSD17B1HSD17B2RAB9A
SCHEMBL24838627 0.77 MAPT (0.39) MAPTALDH1A1HSD17B1HSD17B2RAB9A
SCHEMBL18390779 0.75 HSD17B1 (0.61) MAPTALDH1A1HSD17B1HSD17B2RAB9A
SCHEMBL114000 0.75 HSD17B1 (0.47) MAPTALDH1A1HSD17B1HSD17B2RAB9A
Cyclopropane SCHEMBL11667611 0.75 KDM4E (0.43) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL10205948 0.74 ESR1 (0.66) MAPTALDH1A1HSD17B1HSD17B2RAB9A
SCHEMBL13940687 0.73 CYP2D6 (0.47) ALDH1A1SMN1; SMN2KDM4EKMT2A

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-2023137344-A1 CLEAVAGE RESISTANT CD16 CONSTRUCTS AND USES THEREOF CELULARITY INC. (US) 2023-07-20 WO disclosed
WO-2021113849-A1 HER2+ CANCER TREATMENT WITH POPULATIONS OF NATURAL KILLER CELLS COMPRISING A CLEAVAGE RESISTANT CD16 CELULARITY INC. (US) 2021-06-10 WO disclosed