SCHEMBL17156187

SCHEMBL17156187

CCOc1nn(-c2ncc(CC)c(Cc3ccccc3)n2)cc1I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH1 Q13686 2/20 0.34
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ P2RX7 Q99572 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL17156295 0.74 DHODH (0.39) DHODH
SCHEMBL3263525 0.71 RAB9A (0.43) MAPTHPGDNPSR1
SCHEMBL17156093 0.66 DHODH (0.43) ALKBH1TSHRKDM4EALDH1A1MEN1
SCHEMBL3259619 0.64 RAB9A (0.47) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL12676870 0.62 L3MBTL1 (0.49) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL17156381 0.61 ADORA3 (0.42) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL17156371 0.61 DHODH (0.57) ALKBH1TSHRKDM4EALDH1A1MEN1
SCHEMBL17156327 0.61 ADORA3 (0.48) TSHRKDM4EALDH1A1MEN1MAPT
SCHEMBL17680558 0.60 ADCY10 (0.45) TSHRALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL9009276 0.60 CYP11B2 (0.45) TSHRKDM4EALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2929883-A1 Pyrazole derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors INSTITUT PASTEUR (FR) 2015-10-14 — — EP disclosed
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