SCHEMBL13296367

SCHEMBL13296367

CCC#CCN1CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
USP2 O75604 1/20 0.58
CDK4 P11802 1/20 0.58
ALOX15 P16050 1/20 0.58
CCND1 P24385 1/20 0.58
MAPT P10636 4/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
PTK2B Q14289 1/20 0.51
ESR2 Q92731 1/20 0.51
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPM5 Q9NZQ8 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
NOTUM Q6P988 1/20 0.40

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
SCHEMBL6617812 0.79 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4112330 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29877466 0.78 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL155757 0.78 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL8069229 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4817825 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AUSP2CDK4
Ammonia Solution, Strong SCHEMBL11852266 0.77 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL13937603 0.75 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4935582 0.75 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL12377760 0.74 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 US disclosed
EP-1421094-B1 4\"-DEOXY-4\"-(S)-AMINO AVERMECTIN DERIVATIVES MERIAL LTD (GB) 2008-10-15 EP disclosed