SCHEMBL29074136

SCHEMBL29074136

O=[N+]([O-])c1ccc(Cl)nc1N1CCC(F)(F)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 4/20 0.50
GAA P10253 1/20 0.44
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
GSR P00390 1/20 0.39
TXNRD1 Q16881 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
LMNA P02545 2/20 0.38
MERTK Q12866 1/20 0.37

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
SCHEMBL22120606 0.87 POLB (0.56) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL29074137 0.86 MAPT (0.50) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL101570 0.84 ALDH1A1 (0.69) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL30434695 0.80 POLB (0.58) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL9564464 0.80 POLB (0.58) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL952111 0.80 POLB (0.58) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL3239219 0.80 CYP1A2 (0.59) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL23536074 0.79 POLB (0.48) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL3538908 0.78 TDP1 (0.59) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL9437331 0.77 L3MBTL1 (0.64) POLBTDP1L3MBTL1MAPTALDH1A1

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-116554151-B Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-09-20 CN disclosed
CN-116554151-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2023-08-08 CN disclosed