SCHEMBL14347516

SCHEMBL14347516

CC(C)(C)c1nc(=O)[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KIF11 P52732 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.45
▸ PARP1 P09874 1/20 0.43
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ TNF P01375 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ MDM2 Q00987 3/20 0.37
▸ C1R P00736 1/20 0.37
▸ CAPN1 P07384 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
SCHEMBL14374834 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL14347638 0.80 AHR (0.44) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL14347584 0.78 DAO (0.46) KDM4EMEN1KMT2APARP1
SCHEMBL10220393 0.76 KIF11 (0.47) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL14843175 0.75 KIF11 (0.50) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL8251634 0.72 KDM4E (0.53) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL31083618 0.72 KIF11 (0.74) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL27951682 0.72 DAO (0.46) SMN1; SMN2KDM4EALDH1A1HSD17B10PARP1
SCHEMBL14347279 0.71 MAPT (0.42) SMN1; SMN2KDM4EMEN1LMNAHTT
SCHEMBL32674536 0.70 KDM4E (0.45) 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 2 patents. 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
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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