SCHEMBL9847902

SCHEMBL9847902

CC(=O)N(c1c(N)c(C)c(F)c(Cl)c1F)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
TDP2 O95551 1/20 0.31
S1PR4 O95977 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9847871 0.76 KDM4E (0.35) LMNAKDM4EAPAF1NPC1TDP2
SCHEMBL9847821 0.71 KDM4E (0.36) LMNAKDM4EAPAF1NPC1TDP2
SCHEMBL25298062 0.66 ALDH1A1 (0.33) MAPT
SCHEMBL10528043 0.65 LMNA (0.43) LMNAKDM4EAPAF1NPC1TDP2
SCHEMBL9847904 0.64 HSD11B1 (0.40) S1PR1OPRM1
SCHEMBL10530512 0.64 GPR174 (0.38) LMNAKDM4EAPAF1NPC1TDP2
SCHEMBL9847843 0.63 LMNA (0.38) LMNAKDM4EAPAF1NPC1TDP2
SCHEMBL17494203 0.62 TAS1R3 (0.31) LMNANPC1MAPK1NPSR1
SCHEMBL17494234 0.62 LMNA (0.30) LMNANPC1NPSR1
SCHEMBL26635353 0.62 ALDH1A1 (0.31) MAPT

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
EP-0430847-A1 Procedure for the preparation of N-cyclopropyl-4-fluoroanilines CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) 1991-06-05 EP disclosed