SCHEMBL11713682

SCHEMBL11713682

Nc1c(C(F)(F)F)cc(Br)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BACE1 P56817 1/20 0.43
IDO1 P14902 1/20 0.40
KCNJ11 Q14654 1/20 0.40
POLB P06746 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSB P07858 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
SCHEMBL4880191 0.74 CTSB (0.55) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL30064912 0.74 CTSB (0.55) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL26654465 0.74 CTSB (0.42) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL11232707 0.73 CTSB (0.44) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL9861634 0.72 KDM4E (0.54) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL19284577 0.71 IDO1 (0.38) MEN1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL31279653 0.71 CA1 (0.42) LMNAMAPK1SMN1; SMN2IDO1POLB
SCHEMBL459134 0.71 CA1 (0.42) LMNAMAPK1SMN1; SMN2IDO1POLB
SCHEMBL9990219 0.69 EP300 (0.48) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL3267567 0.69 CTSB (0.42) MEN1MAPTKMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 US disclosed