SCHEMBL3859987

SCHEMBL3859987

CC(C)[C](CCOc1nn2ccccc2c1N)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.39
MIF P14174 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE3A Q14432 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
PDE4A P27815 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 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
SCHEMBL19688877 0.82 EGFR (0.37) PDE5AMIFPDE4BPDE3AMEN1
SCHEMBL1231181 0.81 EGFR (0.40) MIFMEN1ALDH1A1KMT2AEGFR
SCHEMBL16078200 0.81 EGFR (0.40) MIFALDH1A1CYP1A2CYP2C9TSHR
Hydrochloric Acid SCHEMBL17849041 0.81 EGFR (0.36) PDE5AMIFPDE4BPDE3AMEN1
Hydrochloric Acid SCHEMBL1840928 0.80 EGFR (0.39) MIFMEN1ALDH1A1KMT2AEGFR
SCHEMBL19688875 0.80 EGFR (0.39) PDE5AMIFPDE4BPDE3AMEN1
Hydrochloric Acid SCHEMBL1151493 0.80 EGFR (0.39) MIFMEN1ALDH1A1KMT2AEGFR
SCHEMBL1844081 0.80 BCHE (0.40) PDE5AMIFPDE4BPDE3AMEN1
Hydrochloric Acid SCHEMBL21173665 0.79 EGFR (0.38) MIFALDH1A1ADORA1EGFRJAK2
Hydrochloric Acid SCHEMBL17849031 0.79 EGFR (0.38) PDE5AMIFPDE4BPDE3AMEN1

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-7578856-B2 Dyeing compositions comprising at least one aminopyrazolopyridine oxidation base, at least one coupler and at least one C4-C30 polyol and methods and use thereof L'OREAL S.A. (FR) 2009-08-25 US disclosed