SCHEMBL10721964

SCHEMBL10721964

O=C(O)CCOc1ncn(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NOTUM Q6P988 1/20 0.40
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 3/20 0.39
CYP2C9 P11712 1/20 0.37
POLB P06746 1/20 0.37
LTB4R Q15722 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
GLP1R P43220 1/20 0.36
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36
NR3C1 P04150 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL10722451 0.89 MAPT (0.52) MAPTALDH1A1KDM4ENOTUMPOLB
SCHEMBL10720144 0.85 ALDH1A1 (0.44) MAPTALDH1A1KDM4ENOTUMMALT1
SCHEMBL10719033 0.85 MAPT (0.45) MAPTALDH1A1KDM4ERXRACYP2C9
SCHEMBL10721324 0.82 DRD2 (0.46) MAPTALDH1A1KDM4EPOLB
SCHEMBL10719947 0.81 MAPT (0.48) MAPTALDH1A1KDM4ERXRARXRB
SCHEMBL10360378 0.76 PPARD (0.44) MAPTALDH1A1KDM4EPPARGPPARA
SCHEMBL31301425 0.74 TP53 (0.44) MAPTNOTUMCYP2C9POLB
SCHEMBL16030472 0.73 FFAR1 (0.52) CYP2C9PPARGPPARAPPARD
SCHEMBL10720115 0.73 MEN1 (0.46) MAPTALDH1A1KDM4ENOTUMRXRA
SCHEMBL11605293 0.73 L3MBTL1 (0.61) ALDH1A1PPARAPPARD

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-0227284-A1 Plant Growth regulating triazoles ELI LILLY AND COMPANY (US) 1987-07-01 EP disclosed