SCHEMBL30719997

SCHEMBL30719997

CCOC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HSD17B10 Q99714 1/20 0.68
NPC1 O15118 2/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
MMP13 P45452 8/20 0.62
MMP2 P08253 6/20 0.62
MEN1 O00255 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
ATM Q13315 1/20 0.59
MMP14 P50281 4/20 0.58

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
SCHEMBL926927 1.00 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL333745 0.90 MMP13 (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL29619390 0.89 ALOX15 (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2139103 0.89 ALOX15 (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31287683 0.88 KDM4E (0.66) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3279698 0.88 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8869770 0.85 KDM4E (0.62) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL16236301 0.85 HRH4 (0.57) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3484808 0.84 KDM4E (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30681975 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 CN disclosed