SCHEMBL30189253

SCHEMBL30189253

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C19 P33261 2/20 0.47
PDPK1 O15530 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMAD3 P84022 1/20 0.45
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PIN1 Q13526 1/20 0.44
DAO P14920 4/20 0.44
MAPT P10636 1/20 0.44
SRD5A2 P31213 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 3/20 0.40

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
SCHEMBL831575 1.00 KDM4E (0.47) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL30147627 0.82 ALOX15 (0.46) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL831147 0.79 KDM4E (0.54) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL30104780 0.79 KDM4E (0.54) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL30189257 0.79 KDM4E (0.56) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL29301419 0.79 KDM4E (0.56) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL1100416 0.77 CHRM1 (0.43) KDM4EHSD17B10APEX1PIN1SMN1; SMN2
SCHEMBL14972759 0.76 HSD17B10 (0.41) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL25219154 0.76 PIN1 (0.56) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL2105708 0.76 SMAD3 (0.49) KDM4EHSD17B10HPGDALDH1A1LMNA

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
EP-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 EP disclosed