SCHEMBL9343573

SCHEMBL9343573

Cn1ccc(-c2ccc(Cl)cc2)c1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
PPARG P37231 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL27633470 0.81 SMN1; SMN2 (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9346174 0.73 TUBB4A (0.52) MAPTNPSR1POLBCYP2C9CES2
SCHEMBL10953514 0.71 RAB9A (0.67) MAPTCYP1A2L3MBTL1CES2CES1
SCHEMBL31342301 0.71 AKR1C3 (0.50) POLBALDH1A1KDM4ESRD5A2
SCHEMBL2434292 0.71 NR4A1 (0.61) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9341973 0.71 ALDH1A1 (0.78) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL5217869 0.70 CYP1A2 (0.43) MAPTPOLBCYP1A2CYP2D6CYP2C9
SCHEMBL50462 0.69 SRD5A2 (0.74) MAPTL3MBTL1CES2CES1ALDH1A1
SCHEMBL9442387 0.69 SRD5A2 (0.74) MAPTL3MBTL1CES2CES1ALDH1A1
Alcohol SCHEMBL28353828 0.69 SRD5A2 (0.61) MAPTL3MBTL1CES2CES1ALDH1A1

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-5318983-A Fungicides and bactericides having broad spectrum activity to mycetes and Grampositive and Gramnegative bacteria APR APPLIED PHARMA RESEARCH S.A. (CH) 1994-06-07 US disclosed
EP-0569575-A1 TRISUBSTITUTED PYRROLE DERIVATIVES HAVING ANTIFUNGINE ACTIVITY, A PROCESS FOR THEIR PREPARATION AND RELATED PHARMACEUTICAL COMPOSITIONS APR APPLIED PHARMA RESEARCH S.A. (CH) 1993-11-18 EP disclosed
WO-1993011124-A1 TRISUBSTITUTED PYRROLE DERIVATIVES HAVING ANTIFUNGINE ACTIVITY, A PROCESS FOR THEIR PREPARATION AND RELATED PHARMACEUTICAL COMPOSITIONS APR APPLIED PHARMA RESEARCH S.A. (CH) 1993-06-10 WO disclosed