SCHEMBL9775627

SCHEMBL9775627

O=C(Nc1ccccc1)c1c(C(F)(F)F)nc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.48
CNR1 P21554 1/20 0.44
HDAC4 P56524 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
XDH P47989 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
RORC P51449 1/20 0.41
SMO Q99835 1/20 0.40
PTPN1 P18031 1/20 0.40
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SLC22A12 Q96S37 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
SCHEMBL9775573 0.85 RAB9A (0.50) ALDH1A1MEN1LMNAKMT2A
SCHEMBL9775626 0.83 RAB9A (0.49) ALDH1A1MEN1LMNAKMT2AGAA
SCHEMBL9775656 0.81 NPC1 (0.51) ALDH1A1MEN1LMNAKMT2ANFKB1
SCHEMBL9775636 0.76 SMN1; SMN2 (0.55) ALDH1A1MEN1LMNAKMT2AGAA
SCHEMBL9775653 0.75 MEN1 (0.46) ALDH1A1MEN1LMNAKMT2AGAA
SCHEMBL9775604 0.72 RAB9A (0.49) ALDH1A1MEN1LMNAKMT2AGAA
SCHEMBL9775581 0.72 NPC1 (0.48) ALDH1A1MEN1LMNAKMT2AGAA
SCHEMBL9775616 0.71 RAB9A (0.50) MEN1LMNAKMT2AGAAPOLB
SCHEMBL31171374 0.66 XPO1 (0.55) XPO1MEN1KMT2AGAA
SCHEMBL28869489 0.66 AURKA (0.47) XPO1ALDH1A1MEN1LMNAKMT2A

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
US-4987140-A ANTIINFLAMMATORY, ANTIRHEUMATIC ROUSSEL UCLAF (FR) 1991-01-22 US claimed
US-4987140-A ANTIINFLAMMATORY, ANTIRHEUMATIC ROUSSEL UCLAF (FR) 1991-01-22 US disclosed
US-4925859-A Novel 4-hydroxy-3-pyridine-carboxamides useful for treating inflammation and rheumatism ROUSSEL UCLAF (FR) 1990-05-15 US disclosed