SCHEMBL19997366

SCHEMBL19997366

COc1ccccc1-c1ccc(NC(=O)Cn2cnc3c2C(=O)N(C)C(O)N3C)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTR3A P46098 1/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL20290287 0.89 POLB (0.51) POLBALDH1A1KDM4EHPGDIDO1
SCHEMBL19626687 0.89 SMN1; SMN2 (0.42) POLBALDH1A1HPGDIDO1ALOX15
SCHEMBL22105260 0.84 KMT2A (0.46) POLBALDH1A1KDM4EHPGDIDO1
SCHEMBL21935695 0.83 PORCN (0.46) IDO1SMN1; SMN2
SCHEMBL19590966 0.83 ALDH1A1 (0.51) POLBALDH1A1KDM4EMAPK1MAPT
SCHEMBL20029975 0.81 MEN1 (0.48) POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL19626637 0.81 PORCN (0.51) —
SCHEMBL22105261 0.81 PSEN1 (0.41) ALDH1A1KDM4EIDO1SMN1; SMN2MAPT
SCHEMBL19626536 0.80 MAPT (0.47) ALDH1A1HPGDSMN1; SMN2MAPK1MAPT
SCHEMBL19590909 0.79 KMT2A (0.47) ALDH1A1HPGDIDO1ALOX15SMN1; SMN2

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-9926320-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-27 — — US disclosed
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