SCHEMBL23733280

SCHEMBL23733280

CCc1sc(-c2ccc(F)cc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DCK P27707 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
IKBKB O14920 5/20 0.38
CHUK O15111 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TYK2 P29597 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35

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
SCHEMBL23478902 0.81 MAPT (0.42) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12231721 0.77 HSD17B1 (0.42) MAPTRAB9ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL22946430 0.77 ESR1 (0.44) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22053196 0.75 KDM4E (0.48) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22789695 0.71 HSD17B1 (0.41) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13361743 0.68 ESR1 (0.40) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15886302 0.67 PIK3CD (0.37)
SCHEMBL17226334 0.67 PTPN1 (0.56) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2244394 0.67 CCR1 (0.40) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL2245501 0.67 CCR1 (0.40) KDM4EMAPTNPC1ESR1ESR2

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-2023278628-A1 HUMAN PLACENTAL HEMATOPOIETIC STEM CELL DERIVED NATURAL KILLER CELLS IN ACUTE MYELOID LEUKEMIA (AML) REMISSION WITH MINIMAL RESIDUAL DISEASE (MRD) OR RELAPSED/REFRACTORY AML CELULARITY INC. (US) 2023-01-05 WO disclosed
WO-2021155312-A1 PLACENTAL DERIVED NATURAL KILLER CELLS FOR TREATMENT OF CORONAVIRUS INFECTIONS CELULARITY INC. (US) 2021-08-05 WO disclosed