SCHEMBL5740392

SCHEMBL5740392

Nc1ccc(C2CC2(CCl)CCl)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.36
RCOR1 Q9UKL0 5/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP19A1 P11511 5/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 5/20 0.32
MAOB P27338 5/20 0.32

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
SCHEMBL5197214 0.79 MAOA (0.47) KDM1AMAOAMAOB
SCHEMBL9779916 0.74 LMNA (0.42) KDM1ARCOR1ALDH1A1LMNACYP19A1
Hydrochloric Acid SCHEMBL11692957 0.72 LMNA (0.41) KDM1ARCOR1ALDH1A1LMNACYP19A1
SCHEMBL30695906 0.70 DDB1 (0.40) KDM1ARCOR1ALDH1A1LMNACYP19A1
SCHEMBL38656156 0.70 KDM1A (0.45) KDM1ARCOR1ALDH1A1LMNACYP19A1
SCHEMBL20707778 0.70 KDM1A (0.45) KDM1ARCOR1ALDH1A1LMNACYP19A1
SCHEMBL20707745 0.70 KDM1A (0.45) KDM1ARCOR1ALDH1A1LMNACYP19A1
SCHEMBL22335046 0.68 KDM1A (0.65) KDM1ARCOR1ALDH1A1LMNACYP19A1
Hydrochloric Acid SCHEMBL31645588 0.68 KDM1A (0.39) KDM1ARCOR1ALDH1A1LMNACYP19A1
SCHEMBL15780120 0.67 KDM1A (0.70) KDM1ARCOR1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO disclosed