SCHEMBL22280489

SCHEMBL22280489

CNc1ccc(-c2noc([C@@H]3CCN(C(=N)N)C3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.48
SPHK1 Q9NYA1 1/20 0.48
HSD11B1 P28845 6/20 0.45
GRM5 P41594 2/20 0.42
CLPP Q16740 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BMP1 P13497 1/20 0.42
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL22280479 0.87 MAPK1 (0.49) SPHK2SPHK1HSD11B1GRM5ALDH1A1
Hydrochloric Acid SCHEMBL22265416 0.84 SPHK2 (0.56) SPHK2SPHK1HTTPOLB
Hydrochloric Acid SCHEMBL22265409 0.84 SPHK2 (0.56) SPHK2SPHK1HTTPOLB
SCHEMBL22280491 0.84 SMO (0.47) SPHK2HSD11B1GRM5ALDH1A1SMN1; SMN2
SCHEMBL22280492 0.83 SPHK2 (0.41) SPHK2SPHK1HSD11B1GRM5CLPP
SCHEMBL22280443 0.82 HDAC6 (0.49) HSD11B1GRM5CLPPALDH1A1SMN1; SMN2
SCHEMBL22280465 0.82 RAB9A (0.60) SPHK2SPHK1HSD11B1GRM5CLPP
SCHEMBL22280439 0.82 RAB9A (0.60) SPHK2SPHK1HSD11B1GRM5CLPP
Hydrochloric Acid SCHEMBL22265417 0.81 SPHK2 (0.46) SPHK2SPHK1HSD11B1GRM5CLPP
SCHEMBL22280622 0.80 HSD11B1 (0.63) SPHK2SPHK1HSD11B1GRM5

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