SCHEMBL21675441

SCHEMBL21675441

Cc1c(F)c(F)c(N2CC2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5716012 0.85 CA12 (0.46) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3923985 0.84 ALDH1A1 (0.72) ALDH1A1LMNA
SCHEMBL24893440 0.84 CA12 (0.55) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5716136 0.84 CA12 (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6440013 0.82 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL14922295 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL926802 0.71 TAS1R3 (0.35)
SCHEMBL5715977 0.71 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5716130 0.71 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7605265 0.69 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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-3603577-A1 INERTISATION OF SURFACES OF MATERIALS BY FUNCTIONALIZED PERFLUORINATED MOLECULES Technische Universität Berlin (DE) 2020-02-05 EP disclosed