SCHEMBL26650712

SCHEMBL26650712

O=[N+]([O-])c1c(F)cccc1C1OCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
S100A4 P26447 1/20 0.32
GPR35 Q9HC97 1/20 0.32
DNMT3B Q9UBC3 1/20 0.32
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30

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
SCHEMBL31373574 1.00 ALDH1A1 (0.35) ALDH1A1TDP1HTR2CHTR2BMAPT
SCHEMBL31235202 0.81 PMM2 (0.37) ALDH1A1TDP1HTTTSHRS100A4
SCHEMBL31090476 0.77 TDP1 (0.40) ALDH1A1TDP1MAPTHTTL3MBTL1
SCHEMBL240574 0.74 TDP1 (0.52) ALDH1A1TDP1MAPTTSHRS100A4
SCHEMBL5094518 0.73 HTR2C (0.51) HTR2CHTR2BADRA2A
SCHEMBL30515523 0.73 HTR2C (0.51) HTR2CHTR2BADRA2A
SCHEMBL30748623 0.73 CTSB (0.32) ALDH1A1TDP1MAPT
SCHEMBL26650675 0.73 CTSB (0.32) ALDH1A1TDP1MAPT
SCHEMBL8251752 0.73 KDM1A (0.47) ALDH1A1HTR2CHTR2BMEN1KMT2A
SCHEMBL5486010 0.73 HTT (0.44) ALDH1A1TDP1MAPTHTTL3MBTL1

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
EP-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 EP disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed