SCHEMBL31055044

SCHEMBL31055044

Cc1cccc(NN2CCC(F)(F)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ICMT O60725 1/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL12176284 0.80 MAPT (0.38) MAPTALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL8989442 0.80 ALDH1A1 (0.55) HTTCYP1A2MAPTCYP3A4CYP2D6
SCHEMBL31055020 0.79 CYP1A2 (0.34) CYP1A2MAPTCYP2D6ALDH1A1SMN1; SMN2
SCHEMBL31587567 0.78 MEN1 (0.45) HTTMAPTALDH1A1NPSR1RAB9A
SCHEMBL1000959 0.78 L3MBTL1 (0.50) HTTCYP1A2MAPTCYP3A4CYP2D6
SCHEMBL31588149 0.78 KIF18A (0.40) ALDH1A1LMNAKMT2AMEN1
SCHEMBL10891076 0.77 POLB (0.54) HTTCYP1A2MAPTCYP3A4CYP2D6
SCHEMBL12203 0.68 CHRM2 (0.55) HTTMAPTALDH1A1LMNA
SCHEMBL7870381 0.66 CYP1A2 (0.50) HTTCYP1A2MAPTCYP3A4CYP2D6
SCHEMBL19955123 0.66 ALDH1A1 (0.42) HTTCYP1A2MAPTCYP3A4CYP2D6

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
CN-118459440-A Preparation method and application of tetra-substituted aryl compound 江苏普莱医药生物技术有限公司 2024-08-09 CN disclosed