SCHEMBL9729074

SCHEMBL9729074

CCC(Nc1cc(C)ncn1)c1ccc(OC(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
SLC34A1 Q06495 2/20 0.36
CHRM4 P08173 1/20 0.35
EGFR P00533 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
RXRA P19793 2/20 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
SCHEMBL9728674 0.77 EGFR (0.39) CHRM4EGFRALDH1A1GAAMAPT
SCHEMBL23037 0.76 CRHR1 (0.38) CHRM4EGFRALDH1A1GAAMAPT
SCHEMBL9193841 0.72 CRHR1 (0.39) EGFRMAPTHDAC6CRHR1
SCHEMBL8025137 0.72 EGFR (0.37) EGFRHDAC6CRHR1
SCHEMBL8286106 0.72 MAPK1 (0.42) ALDH1A1GAAMAPTRAB9AKDM4E
SCHEMBL9765693 0.71 CRHR1 (0.36) ALDH1A1GAAMAPTRAB9AKDM4E
SCHEMBL16563461 0.69 FAAH (0.47) ALDH1A1KDM4ELMNAPDE2APKM
SCHEMBL8840624 0.65 CRHR1 (0.34) ALDH1A1MAPTLMNAALOX12RXRA
SCHEMBL22792092 0.65 MAPK1 (0.42) ALDH1A1GAAMAPTRAB9ALMNA
SCHEMBL12498537 0.63 SLC6A4 (0.50) ALDH1A1GAAMAPTRAB9ALMNA

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-5141941-A ARALKYLAMINE DERIVATIVES, AND FUNGICIDES CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1992-08-25 US claimed