SCHEMBL14282212

SCHEMBL14282212

O=c1c(Cl)c(-n2ccnc2)cnn1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.48
▸ CYP3A4 P08684 5/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ CYP2C19 P33261 4/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ IDO1 P14902 3/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ XBP1 P17861 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
SCHEMBL14221370 0.85 ALDH1A1 (0.56) GAACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL14282209 0.80 NOTUM (0.54) CYP3A4CYP1A2ALDH1A1MAPTKMT2A
SCHEMBL14221276 0.80 IDO1 (0.59) CYP3A4CYP2C19ALDH1A1MAPTMEN1
SCHEMBL14282213 0.78 CYP17A1 (0.56) CYP3A4CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL14282208 0.78 RAB9A (0.53) CYP3A4CYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL870689 0.78 CYP3A4 (0.63) GAACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL14220860 0.77 IDO1 (0.46) CYP3A4CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL4672868 0.77 RAB9A (0.67) GAACYP1A2CYP2C9ALDH1A1MAPT
SCHEMBL14282211 0.75 NPBWR1 (0.46) CYP3A4CYP1A2ALDH1A1MAPTKMT2A
SCHEMBL14282214 0.74 SMN1; SMN2 (0.43) ALDH1A1MAPTMEN1KMT2ANPC1

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-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 — — US disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 — — US disclosed
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