SCHEMBL20824968

SCHEMBL20824968

O=C(CI)NCc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 1/20 0.62
HSD17B10 Q99714 1/20 0.53
MMP13 P45452 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.51
RAB9A P51151 1/20 0.51
NAMPT P43490 1/20 0.51
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL16610101 0.84 GAA (0.66) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL2695688 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL1812216 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL8288448 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL1286082 0.81 GAA (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL25094969 0.81 ALDH1A1 (0.67) ALDH1A1GAAMAPTHSD17B10MMP13
SCHEMBL9329665 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL6366481 0.80 ALDH1A1 (0.57) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL20825050 0.80 ALDH1A1 (0.56) ALDH1A1GAAMAPTHSD17B10MMP13
SCHEMBL7037785 0.80 GAA (0.66) ALDH1A1GAAMAPTLMNAHTT

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
EP-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed