SCHEMBL3341658

SCHEMBL3341658

CC(=O)Nc1cc2[nH]c3ccccc3c2cn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.57
▸ MTNR1A P48039 1/20 0.57
▸ MTNR1B P49286 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ MAOA P21397 1/20 0.53
▸ CCKBR P32239 4/20 0.53
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49

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
SCHEMBL10645219 0.89 CCKBR (0.67) KDM4EMTNR1AMTNR1BKMT2ACCKBR
Benzene SCHEMBL9481361 0.87 CCKBR (0.69) KDM4EMTNR1AMTNR1BKMT2ACCKBR
SCHEMBL3342013 0.79 UTS2R (0.50) —
SCHEMBL22616930 0.76 MAOA (0.86) KDM4EMTNR1AMTNR1BKMT2AMAOA
SCHEMBL1979527 0.75 CCKBR (0.72) KDM4EKMT2ACCKBRNPC1ALDH1A1
SCHEMBL2214365 0.75 CCKBR (0.64) KDM4EKMT2ACCKBRNPC1ALDH1A1
SCHEMBL30497898 0.75 CCKBR (0.64) KDM4EKMT2ACCKBRNPC1ALDH1A1
SCHEMBL28843897 0.74 GABRA1 (0.80) KDM4ENPC1ALDH1A1LMNATP53
Carbazole SCHEMBL28283104 0.73 KMT2A (0.73) KDM4EMTNR1AMTNR1BKMT2AMAOA
SCHEMBL31488126 0.73 MTNR1A (1.00) KDM4EMTNR1AMTNR1BKMT2AMAOA

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
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 — — US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 — — WO disclosed
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