SCHEMBL11005017

SCHEMBL11005017

CC(C)(COc1ccc(Br)cc1)C(=O)Cn1cncn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6949649 0.88 MAPT (0.48) MAPTALDH1A1SMN1; SMN2CYP3A4KMT2A
SCHEMBL9022060 0.81 CYP3A4 (0.45) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10407825 0.77 EGLN3 (0.40) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL950886 0.77 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL10680117 0.76 MAPT (0.46) MAPTALDH1A1SMN1; SMN2CYP3A4MEN1
SCHEMBL10869615 0.74 MAPT (0.58) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27975527 0.74 EGLN3 (0.42) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11096568 0.72 EGLN3 (0.47) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11350755 0.72 CYP3A4 (0.48) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9824026 0.72 CYP1A2 (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2D6

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-4549900-A PLANT GROWTH REGULATOR BAYER AKTIENGESELLSCHAFT (DE) 1985-10-29 US claimed