SCHEMBL9715396

SCHEMBL9715396

O=C(O)c1cc(=O)n(CF)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 3/20 0.38
TSHR P16473 2/20 0.36
ALKBH5 Q6P6C2 4/20 0.35
KMT2A Q03164 2/20 0.35
APEX1 P27695 2/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
GPR35 Q9HC97 3/20 0.34
MEN1 O00255 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL7403411 0.84 ALOX15 (0.45) NFKB1ALOX15BLMSMN1; SMN2ALDH1A1
SCHEMBL13401695 0.81 SMN1; SMN2 (0.42) NFKB1ALOX15BLMSMN1; SMN2ALDH1A1
SCHEMBL3797821 0.79 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1MAPTPOLBKMT2A
SCHEMBL26948701 0.78 ALOX15 (0.40) NFKB1ALOX15BLMSMN1; SMN2ALDH1A1
SCHEMBL1050340 0.76 NFKB1 (0.48) NFKB1ALOX15BLMSMN1; SMN2ALDH1A1
Water SCHEMBL27669910 0.74 NFKB1 (0.47) NFKB1ALOX15BLMSMN1; SMN2ALDH1A1
SCHEMBL8149936 0.73 NFKB1 (0.45) NFKB1ALOX15BLMSMN1; SMN2ALDH1A1
SCHEMBL3719218 0.72 TSHR (0.46) ALDH1A1LMNAMAPTCYP2C19TSHR
SCHEMBL8208517 0.72 ALOX15 (0.48) NFKB1ALOX15BLMSMN1; SMN2ALDH1A1
SCHEMBL3793592 0.72 SMN1; SMN2 (0.48) NFKB1ALOX15BLMSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445239-A4 ANTI-MALARIAL COMPOSITION AND METHOD OF USE 1992-03-25 EP claimed
EP-0445239-A1 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-09-11 EP claimed
WO-1991000081-A2 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-01-10 WO claimed