SCHEMBL11190896

SCHEMBL11190896

S=C(NCc1ccccn1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
SMN1; SMN2 Q16637 6/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
RAB9A P51151 5/20 0.72
MAPT P10636 3/20 0.72
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2C19 P33261 2/20 0.72
HPGD P15428 2/20 0.72
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
NPSR1 Q6W5P4 1/20 0.68
NPC1 O15118 2/20 0.68
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
GAA P10253 1/20 0.66

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
SCHEMBL11667197 0.88 HTT (0.76) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL9859901 0.86 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL11643864 0.84 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL11647735 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL7845148 0.84 SMN1; SMN2 (0.80) ALDH1A1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL11719425 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL11645917 0.82 KMT2A (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL11646615 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL11338235 0.81 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL11618998 0.81 RAB9A (1.00) SMN1; SMN2MEN1KMT2ARAB9AMAPT

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-4419516-A Antiviral imidazo- and triazolo-pyridines AMERICAN HOME PRODUCTS CORPORATION (US) 1983-12-06 US disclosed