SCHEMBL21036342

SCHEMBL21036342

CNc1ccccc1C(=N)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
POLB P06746 3/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 1/20 0.36
GAA P10253 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL1106863 0.80 POLB (0.53) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL5001806 0.78 KDM4E (0.52) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL18534720 0.78 POLB (0.52) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL10343050 0.78 KDM4E (0.52) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL29345253 0.78 POLB (0.47) KDM4EPOLBATMALDH1A1MAPT
Hydrochloric Acid SCHEMBL8378279 0.77 KDM4E (0.50) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL2495680 0.77 POLB (0.59) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL17454835 0.75 CYP1A2 (0.53) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL1896087 0.74 KDM4E (0.62) KDM4EPOLBATMALDH1A1MAPT
SCHEMBL12327435 0.74 POLB (0.52) KDM4EPOLBATMALDH1A1MAPT

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-3107902-B1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIV CORNELL CENTER FOR TECHNOLOGY ENTERPRISE & COMMERCIALIZATION CCTEC (US) 2021-04-07 EP disclosed
WO-2019104067-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR CORNELL UNIVERSITY (US) 2019-05-31 WO disclosed