SCHEMBL28151098

SCHEMBL28151098

NCCNc1ccc2c(c1)NC(C=O)=CO2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTR6 P50406 5/20 0.33
▸ ALK Q9UM73 2/20 0.31

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
SCHEMBL28845253 0.90 HTR6 (0.33) GLAGAAMAPTHTR6ALK
SCHEMBL28152167 0.78 TAAR1 (0.41) GAAMAPT
SCHEMBL28327769 0.71 CYP3A4 (0.32) MAPT
SCHEMBL17315432 0.70 PARP1 (0.54) GAAMAPT
SCHEMBL17315362 0.69 KDM4E (0.55) —
SCHEMBL27468059 0.69 — —
SCHEMBL28151077 0.68 ALK (0.31) GLAGAAMAPTALK
SCHEMBL27328290 0.67 ALOX5 (0.43) MAPT
SCHEMBL27518193 0.65 RPS6KA3 (0.31) GAAMAPT
SCHEMBL25691830 0.63 MCHR1 (0.47) MAPT

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
CN-106794181-A MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions 托马斯·黑勒戴药物研究基金会 2017-05-31 — — CN disclosed
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