SCHEMBL22280535

SCHEMBL22280535

CC(C)(C)c1cccc(Nc2ccc(-c3noc([C@@H]4CCN(C(=N)N)C4)n3)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40

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
Hydrochloric Acid SCHEMBL22266011 0.99 LMNA (0.45) LMNAHTTSMN1; SMN2MEN1MAPT
Hydrochloric Acid SCHEMBL22266014 0.99 LMNA (0.45) LMNAHTTSMN1; SMN2MEN1MAPT
SCHEMBL22265627 0.90 LMNA (0.49) LMNAHTTSMN1; SMN2MEN1MAPT
SCHEMBL22265631 0.90 LMNA (0.49) LMNAHTTSMN1; SMN2MEN1MAPT
SCHEMBL22280559 0.87 LMNA (0.47) LMNAHTTSMN1; SMN2MEN1MAPT
SCHEMBL29523141 0.87 LMNA (0.47) LMNAHTTSMN1; SMN2MEN1MAPT
SCHEMBL22280479 0.84 MAPK1 (0.49) LMNAHTTSMN1; SMN2MAPTSPHK2
SCHEMBL22280489 0.82 SPHK2 (0.48) LMNAHTTSMN1; SMN2MAPTSPHK2
SCHEMBL29523344 0.81 SMN1; SMN2 (0.42) LMNAHTTSMN1; SMN2MEN1MAPT
SCHEMBL22280449 0.80 NR1H4 (0.44) LMNAHTTSMN1; SMN2MEN1MAPT

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