SCHEMBL22280276

SCHEMBL22280276

Cc1ccc(-c2noc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 2/20 0.57
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RAB9A P51151 3/20 0.55
MAPT P10636 2/20 0.55
TUBB4A P04350 3/20 0.55
TUBB P07437 3/20 0.55
TUBA3C P0DPH7 3/20 0.55
TUBA1B P68363 3/20 0.55
TUBA4A P68366 3/20 0.55
TUBB4B P68371 3/20 0.55
TUBB3 Q13509 3/20 0.55
TUBB2A Q13885 3/20 0.55
TUBB8 Q3ZCM7 3/20 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
SCHEMBL22280590 1.00 LMNA (0.57) LMNAHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL22280436 0.95 ALDH1A1 (0.64) LMNAHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL5769537 0.95 ALDH1A1 (0.64) LMNAHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL192613 0.95 ALDH1A1 (0.64) LMNAHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL4423384 0.94 GPR119 (0.59) LMNAHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL22280637 0.91 HDAC4 (0.55) ALDH1A1SMN1; SMN2MAPTGPR119HDAC4
SCHEMBL22280528 0.91 HDAC4 (0.53) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL22280496 0.89 HDAC4 (0.51) LMNAHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL22280326 0.88 HDAC4 (0.60) ALDH1A1SMN1; SMN2MAPTGPR119HDAC4
SCHEMBL29523281 0.87 HDAC4 (0.52) LMNAALDH1A1SMN1; SMN2TSHRMAPT

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed