SCHEMBL24685877

SCHEMBL24685877

Bc1cccc(NCCC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 2/20 0.44
HTT P42858 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
ADRA2A P08913 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2B6 P20813 1/20 0.37
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
UTS2R Q9UKP6 1/20 0.35

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
SCHEMBL25824641 0.79 CYP1A2 (0.44) MAPTCYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL8090903 0.79 CYP1A2 (0.46) MAPTCYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL15928754 0.79 MAPT (0.44) MAPTCYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL1548538 0.77 ALDH1A1 (0.56) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL8284421 0.75 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL17710410 0.75 ALDH1A1 (0.54) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL25443755 0.74 MAPT (0.50) MAPTCYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL27536284 0.73 HPGD (0.53) MAPTCYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL458797 0.73 NPC1 (0.58) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL18893123 0.71 TDP1 (0.54) CYP3A4TSHRPOLBHSD17B10L3MBTL1

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-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed