SCHEMBL20756285

SCHEMBL20756285

CC(C)C1CCCN(c2ccc(F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DEGS1 O15121 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL19368254 0.90 NOTUM (0.51) NOTUMNPC1MAPTRAB9AMAPK1
SCHEMBL24681187 0.84 NOTUM (0.45) NOTUMNPC1MAPTMAPK1ALDH1A1
SCHEMBL19368164 0.83 NOTUM (0.44) NOTUMMAPK1ALDH1A1KDM4EHPGD
SCHEMBL20756834 0.82 BPTF (0.51) NOTUMKDM4EHPGDHTT
SCHEMBL20756550 0.81 CHKA (0.52) MAPK1ALDH1A1TSHRRECQLKMT2A
SCHEMBL24681307 0.80 NOTUM (0.37) NOTUM
SCHEMBL12988745 0.80 MAPT (0.48) NOTUMNPC1MAPTRAB9AMAPK1
SCHEMBL20756890 0.79 HTT (0.46) MAPTALDH1A1KDM4EHTT
SCHEMBL24844832 0.79 HTT (0.49) MAPTRAB9AALDH1A1TSHRKDM4E
SCHEMBL15383528 0.78 KDM4E (0.57) NOTUMNPC1MAPTRAB9AMAPK1

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
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed