SCHEMBL7930806

SCHEMBL7930806

CC(C)Cc1nc(Cl)nc(CC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL1318068 0.95 ALDH1A1 (0.42) ESR1GAATDP1ALDH1A1ALOX15
SCHEMBL4200442 0.75 SLC6A2 (0.40) ESR1GAATDP1ALDH1A1ALOX15
SCHEMBL1222163 0.75 ESR1 (0.36) ESR1HRH4LMNA
SCHEMBL27985932 0.75 ESR1 (0.33) ESR1ALDH1A1LMNA
SCHEMBL17563556 0.73 ALDH1A1 (0.36) ESR1GAATDP1ALDH1A1ALOX15
SCHEMBL12716504 0.70 HRH4 (0.35) ALDH1A1HRH4
SCHEMBL24799425 0.70 NOS2 (0.48) ESR1GAATDP1ALDH1A1ALOX15
SCHEMBL7400206 0.69 ALDH1A1 (0.41) TDP1ALDH1A1ALOX15TSHRLMNA
SCHEMBL20313916 0.68 NOS3 (0.33) HRH4
SCHEMBL672555 0.68 HRH4 (0.55) TSHRHRH4LMNAHTT

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-6239276-B1 STABILIZER CYTEC TECHNOLOGY CORPORATION 2001-05-29 US disclosed