SCHEMBL21807680

SCHEMBL21807680

O=C(O)C(=O)c1ccc(F)c2c1CN(Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL21807256 0.84 MEN1 (0.45) ALDH1A1KDM4ETSHRSMN1; SMN2POLB
SCHEMBL21522001 0.78 SIGMAR1 (0.44) ALDH1A1HTTSIGMAR1
SCHEMBL31158622 0.78 SIGMAR1 (0.44) ALDH1A1HTTSIGMAR1
SCHEMBL4525709 0.75 SIGMAR1 (0.44) ALDH1A1KDM4ESIGMAR1ATM
SCHEMBL21522072 0.71 KMT2A (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1MAPK1
SCHEMBL4224502 0.70 SIGMAR1 (0.46) KDM4ESIGMAR1L3MBTL1
SCHEMBL21807201 0.69 USP30 (0.40) SMN1; SMN2POLBMEN1MAPK1KMT2A
SCHEMBL30309419 0.68 PTGS2 (0.40) ALDH1A1KDM4EHTTSMN1; SMN2TDP1
SCHEMBL9757304 0.67 PARP1 (0.46) MEN1KMT2A
SCHEMBL31158897 0.67 CYP1A2 (0.38) ALDH1A1TSHRTDP1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3852790-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X Forma Therapeutics, Inc. (US) 2021-07-28 EP disclosed
CN-113164571-A Inhibition of ubiquitin-specific peptidase 9X 福马治疗股份有限公司 2021-07-23 CN disclosed
WO-2020061261-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed