SCHEMBL13194758

SCHEMBL13194758

CNc1noc2ccc(CC(=O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 5/20 0.44
▸ GAA P10253 5/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ TSHR P16473 3/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL10083311 0.81 MAPT (0.56) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3547238 0.78 MAPT (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL18697150 0.72 MAPT (0.47) MAPTTDP1LMNAPOLBNPC1
SCHEMBL28000229 0.71 KDM4E (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL19328487 0.71 PDCD1 (0.40) MAPTPDCD1CD274NPC1RAB9A
SCHEMBL7901168 0.70 HTT (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7893688 0.70 ENPP2 (0.39) MAPT
SCHEMBL12066726 0.70 EPHX2 (0.37) MAPTLMNA
SCHEMBL12031403 0.69 PDCD1 (0.43) MAPTKDM4EPDCD1CD274
SCHEMBL17805164 0.69 EPHX2 (0.36) 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
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 — — WO disclosed
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