SCHEMBL9478253

SCHEMBL9478253

CCCCC(CC)C(=O)Nc1ccc2c(C=O)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
KDM4E B2RXH2 1/20 0.41
CYP2A6 P11509 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9481192 0.85 LMNA (0.63) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL9479582 0.83 LMNA (0.55) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8772329 0.76 LMNA (0.60) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL9479583 0.76 LMNA (0.59) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL6825511 0.76 CYP2A6 (0.53) MEN1KMT2AALDH1A1MAPTCA1
SCHEMBL10921012 0.75 LMNA (0.48) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8749459 0.73 KMT2A (0.61) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL25681987 0.73 KMT2A (0.72) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL6152612 0.72 LMNA (0.55) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL12245070 0.72 LMNA (0.67) LMNAMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
CN-85108623-A Preparation has the novel method of the heterocycleamide of medical active 1986-07-30 CN disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed