SCHEMBL9228232

SCHEMBL9228232

CCOC(=O)N(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
CYP3A4 P08684 4/20 0.55
MAOA P21397 2/20 0.55
CYP1A2 P05177 2/20 0.55
ALDH1A1 P00352 6/20 0.44
TSHR P16473 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
PSMD14 O00487 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
PPIB P23284 1/20 0.42
PPIA P62937 1/20 0.42
PPID Q08752 1/20 0.42
PPIG Q13427 1/20 0.42
CYP2D6 P10635 1/20 0.41
HTR3A P46098 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL11109783 0.93 CTDSP1 (0.49) LMNACYP3A4MAOACYP1A2ALDH1A1
SCHEMBL10790625 0.87 LMNA (0.53) LMNACYP3A4MAOACYP1A2ALDH1A1
SCHEMBL11444462 0.84 LMNA (0.59) LMNACYP3A4MAOACYP1A2ALDH1A1
SCHEMBL11142995 0.81 ALDH1A1 (0.51) LMNACYP3A4CYP1A2ALDH1A1TSHR
SCHEMBL1363531 0.81 L3MBTL1 (0.55) LMNACYP1A2ALDH1A1TSHRTDP1
SCHEMBL29023046 0.80 LMNA (0.49) LMNACYP3A4MAOACYP1A2ALDH1A1
SCHEMBL31147823 0.79 L3MBTL1 (0.53) LMNACYP1A2ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL27606948 0.79 L3MBTL1 (0.53) LMNACYP1A2ALDH1A1TSHRTDP1
SCHEMBL27480292 0.79 PTGIR (0.58) LMNACYP1A2ALDH1A1TDP1L3MBTL1
SCHEMBL6740971 0.78 CYP3A4 (0.54) LMNACYP3A4CYP1A2ALDH1A1TSHR

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
EP-0671425-A1 Process for the preparation of highly elastic flexibel polyurethane foams BASF Schwarzheide GmbH (DE) 1995-09-13 EP claimed
EP-0205815-B1 USE OF AN ANTITHROMBOGENIC SYNTHETIC ELASTOMER AND PROCESS OF PREPARATION THEREOF Research Development Corporation of Japan (JP) 1991-07-17 EP disclosed
US-4687831-A Antithrombogenic synthetic elastomer and process of preparation thereof RESEARCH DEVELOPMENT CORP. OF JAPAN (JP) 1987-08-18 US disclosed
EP-0205815-A1 Use of an antithrombogenic synthetic elastomer and process of preparation thereof Research Development Corporation of Japan (JP) 1986-12-30 EP disclosed