SCHEMBL11511237

SCHEMBL11511237

CCCCCCCCCCCCCCCCCCSc1nnc(-c2ccc(N)cc2)n1C1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 3/20 0.39
ADRB2 P07550 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
DRD3 P35462 3/20 0.36
HDAC1 Q13547 2/20 0.36
DRD2 P14416 2/20 0.36

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
SCHEMBL11511399 0.74 GAA (0.55) GAAHTTSMN1; SMN2TSHRTP53
SCHEMBL11512148 0.72 HDAC1 (0.35) GAAHDAC1
SCHEMBL11510891 0.70 HTT (0.36) GAAHTTSMN1; SMN2TSHRTP53
SCHEMBL11509897 0.69 MEN1 (0.44) GAAHTTSMN1; SMN2TSHRMEN1
SCHEMBL11512754 0.68 KDM4E (0.56) GAAHTTSMN1; SMN2TSHRALOX15
SCHEMBL11510748 0.68 HDAC2 (0.49) GAAHTTSMN1; SMN2TSHRMEN1
SCHEMBL11510747 0.67 ALDH1A1 (0.47) GAAHTTSMN1; SMN2TSHRTP53
SCHEMBL11511408 0.66 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ACYP2C19HPGD
SCHEMBL11513288 0.66 GAA (0.44) GAAHTTSMN1; SMN2TSHRTP53
SCHEMBL11512474 0.65 HDAC1 (0.42) HDAC1ALDH1A1

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
US-4178253-A 1,2,4-TRIAZOLE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1979-12-11 US disclosed