SCHEMBL22280462

SCHEMBL22280462

Cc1ccc(-c2noc(C3CN(C(=N)N)C3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.67
SPHK1 Q9NYA1 1/20 0.67
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
GRM5 P41594 9/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 1/20 0.51
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47

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
SCHEMBL22280465 0.90 RAB9A (0.60) SPHK2SPHK1RAB9ANPC1GRM5
SCHEMBL22280439 0.90 RAB9A (0.60) SPHK2SPHK1RAB9ANPC1GRM5
SCHEMBL22280297 0.89 MAPK1 (0.64) SPHK2SPHK1RAB9ANPC1GRM5
SCHEMBL22280266 0.89 MAPK1 (0.64) SPHK2SPHK1RAB9ANPC1GRM5
SCHEMBL22280441 0.88 RAB9A (0.64) SPHK2SPHK1RAB9ANPC1GRM5
SCHEMBL16934245 0.81 SPHK2 (1.00) SPHK2SPHK1
SCHEMBL16934032 0.81 SPHK2 (1.00) SPHK2SPHK1
Hydrochloric Acid SCHEMBL22265475 0.80 SPHK2 (0.98) SPHK2SPHK1
Hydrochloric Acid SCHEMBL22265520 0.80 SPHK2 (0.98) SPHK2SPHK1
Hydrochloric Acid SCHEMBL15175635 0.80 SPHK2 (0.98) SPHK2SPHK1

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