SCHEMBL22280307

SCHEMBL22280307

Cc1ccc(Nc2ccc(-c3noc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46

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
SCHEMBL29523301 0.89 SPHK2 (0.45) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL22280443 0.88 HDAC6 (0.49) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29523920 0.87 SPHK2 (0.49) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL22280276 0.87 LMNA (0.57) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL22280590 0.87 LMNA (0.57) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL22280559 0.87 LMNA (0.47) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29523141 0.87 LMNA (0.47) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29523928 0.85 SMO (0.47) MAPTSMN1; SMN2LMNATSHRHTT
SCHEMBL29522926 0.84 HDAC6 (0.43) MAPTALDH1A1SMN1; SMN2GPR119HDAC6
SCHEMBL22280479 0.84 MAPK1 (0.49) MAPK1MAPTALDH1A1SMN1; SMN2LMNA

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