SCHEMBL14374834

SCHEMBL14374834

CCc1nc(=O)[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KIF11 P52732 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ AR P10275 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ TNF P01375 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36

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
SCHEMBL14347516 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL14374978 0.78 TSHR (0.51) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL14374778 0.77 RXFP1 (0.43) KDM4EMEN1HPGDKMT2APARP1
SCHEMBL10271522 0.77 KIF11 (0.46) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL9176996 0.73 KDM4E (0.64) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL6191956 0.71 KDM4E (0.53) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL31083618 0.71 KIF11 (0.74) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL14374178 0.70 KDM4E (0.42) SMN1; SMN2KDM4ELMNA
SCHEMBL28952803 0.69 KDM4E (0.43) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL29578522 0.69 KDM4E (0.43) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA

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
US-7312211-B2 Pryanone compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2007-12-25 — — US disclosed
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