SCHEMBL10834698

SCHEMBL10834698

CCn1c(C)c(C(OC(C)C)c2ccc(N(C)C)cc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 5/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 2/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 2/20 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
SCHEMBL8777552 0.94 CYP19A1 (0.43) CYP19A1ALDH1A1MAPTHTTMEN1
SCHEMBL10835395 0.91 CYP19A1 (0.40) CYP19A1ALDH1A1MAPTHTTMEN1
SCHEMBL8777790 0.88 CYP19A1 (0.43) CYP19A1ALDH1A1MAPTHTTMEN1
SCHEMBL8777527 0.87 CYP19A1 (0.42) CYP19A1ALDH1A1MAPTHTTMEN1
SCHEMBL10834701 0.85 CYP19A1 (0.41) CYP19A1ALDH1A1MAPTHTTMEN1
SCHEMBL10836556 0.84 GAA (0.39) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL8777632 0.83 CYP19A1 (0.39) CYP19A1ALDH1A1MAPTHTTMEN1
SCHEMBL10835401 0.83 CYP19A1 (0.39) CYP19A1ALDH1A1MAPTHTTMEN1
SCHEMBL10729723 0.83 CYP19A1 (0.44) CYP19A1ALDH1A1MAPTHTTMEN1
SCHEMBL9657922 0.83 ALDH1A1 (0.48) CYP19A1ALDH1A1MAPTHTTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4618684-A Substituted indoles THE HILTON-DAVIS CHEMICAL CO. (US) 1986-10-21 US disclosed
US-4485242-A PRESSURE SENSITIVE CARBONLESS REPRODUCTION STERLING DRUG INC. (US) 1984-11-27 US disclosed
US-4307898-A INDOLES STERLING DRUG INC. (US) 1981-12-29 US disclosed
EP-0035774-A2 Indoles, process for preparing them and duplicating or marking systems containing them STERLING DRUG INC. (US) 1981-09-16 EP disclosed