SCHEMBL28839639

SCHEMBL28839639

O=C(CCl)N1CCc2c([nH]c3ccccc23)C1c1cc(F)cc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
TP53 P04637 1/20 0.62
MAPT P10636 4/20 0.60
ABCB1 P08183 4/20 0.59
ABCG2 Q9UNQ0 4/20 0.59
KIF11 P52732 1/20 0.58
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.56
STAT3 P40763 1/20 0.55

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
SCHEMBL997852 0.86 KIF11 (0.57) LMNATP53MAPTABCB1ABCG2
SCHEMBL21309607 0.84 LMNA (0.64) LMNATP53MAPTABCB1ABCG2
SCHEMBL21309365 0.84 LMNA (0.61) LMNATP53MAPTABCB1ABCG2
SCHEMBL21309590 0.82 LMNA (0.67) LMNATP53MAPTABCB1ABCG2
SCHEMBL21309927 0.82 POLB (0.66) LMNATP53MAPTABCB1ABCG2
SCHEMBL21309606 0.82 POLB (0.66) LMNATP53MAPTABCB1ABCG2
SCHEMBL21309858 0.82 LMNA (0.66) LMNATP53MAPTABCB1ABCG2
SCHEMBL21309468 0.81 LMNA (0.59) LMNATP53MAPTABCB1ABCG2
SCHEMBL21309737 0.80 MAPT (0.69) LMNATP53MAPTABCB1ABCG2
SCHEMBL21309748 0.80 LMNA (0.59) LMNATP53MAPTABCB1ABCG2

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
CN-106432237-B Amidine compound of the one kind containing two chiral centres synthesizes and purposes 西华大学 2017-12-22 CN disclosed
CN-106432237-A Synthesis and purpose of amidine compound containing two chiral centers 西华大学 2017-02-22 CN disclosed