SCHEMBL22280491

SCHEMBL22280491

N=C(N)N1CC[C@@H](c2nc(-c3ccc(Nc4ccccc4Cl)nc3)no2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.47
DGAT1 O75907 1/20 0.46
HSD11B1 P28845 8/20 0.45
GRM5 P41594 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ERG P11308 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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 SCHEMBL22265344 0.99 SMO (0.46) SMODGAT1HSD11B1GRM5LMNA
Hydrochloric Acid SCHEMBL22265341 0.99 SMO (0.46) SMODGAT1HSD11B1GRM5LMNA
SCHEMBL22265591 0.89 HSD11B1 (0.52) SMODGAT1HSD11B1GRM5LMNA
SCHEMBL22265594 0.89 HSD11B1 (0.52) SMODGAT1HSD11B1GRM5LMNA
SCHEMBL22280492 0.84 SPHK2 (0.41) SMODGAT1HSD11B1GRM5SMN1; SMN2
SCHEMBL29523928 0.84 SMO (0.47) SMODGAT1HSD11B1LMNAMAPT
SCHEMBL22280489 0.84 SPHK2 (0.48) HSD11B1GRM5LMNAMAPTHTT
Hydrochloric Acid SCHEMBL22265586 0.83 SPHK2 (0.40) SMODGAT1HSD11B1GRM5SPHK2
Hydrochloric Acid SCHEMBL22265583 0.83 SPHK2 (0.40) SMODGAT1HSD11B1GRM5SPHK2
SCHEMBL22280479 0.82 MAPK1 (0.49) HSD11B1GRM5LMNAMAPTHTT

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