SCHEMBL30104780

SCHEMBL30104780

CCOC(=O)c1cc2nc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
RAB9A P51151 6/20 0.54
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 2/20 0.54
NPC1 O15118 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MMP13 P45452 8/20 0.50
MMP2 P08253 6/20 0.50
MMP14 P50281 4/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL831147 1.00 KDM4E (0.54) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3707866 0.82 RAB9A (0.61) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3961035 0.80 KDM4E (0.58) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL31609642 0.80 RAB9A (0.58) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL30296802 0.80 ALOX15 (0.59) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL7920033 0.80 RAB9A (0.58) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL1202083 0.80 ALOX15 (0.59) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL30189253 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL831575 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2109109 0.79 RAB9A (0.60) KDM4EALDH1A1RAB9AHPGDSMN1; 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 2 patents. 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
WO-2022247839-A1 PARP7 INHIBITOR 山东轩竹医药科技有限公司 2022-12-01 WO disclosed