SCHEMBL11411249

SCHEMBL11411249

Oc1ccc(N=Cc2ccccc2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
DHODH Q02127 2/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
AKR1C3 P42330 1/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
LIG1 P18858 1/20 0.44
POLB P06746 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
EGFR P00533 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL11411247 1.00 MEN1 (0.46) MEN1KMT2ADHODHCA12CA2
SCHEMBL11422778 0.85 AKR1C3 (0.45) MEN1KMT2ADHODHCA12CA2
SCHEMBL11422776 0.85 AKR1C3 (0.45) MEN1KMT2ADHODHCA12CA2
SCHEMBL5479008 0.85 CA2 (0.46) MEN1KMT2ACA12CA2CA9
SCHEMBL5479012 0.85 CA2 (0.46) MEN1KMT2ACA12CA2CA9
SCHEMBL5084597 0.84 MAPT (0.50) MEN1KMT2ADHODHCA12CA2
SCHEMBL5084594 0.84 MAPT (0.50) MEN1KMT2ADHODHCA12CA2
SCHEMBL5078669 0.82 MAPT (0.49) MEN1KMT2ADHODHCA12CA2
SCHEMBL5078670 0.82 MAPT (0.49) MEN1KMT2ADHODHCA12CA2
SCHEMBL14337533 0.80 CA2 (0.55) MEN1KMT2ADHODHCA12CA2

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-4235929-A TOPICAL ADMINISTRATION OF ANTIINFLAMMATORY AGENT WILLIAM H. RORER, INC. (US) 1980-11-25 US disclosed
US-4198349-A ANTIINFLAMMATORY, TOPICAL WILLIAM H. RORER, INC. (US) 1980-04-15 US disclosed
US-4176198-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1979-11-27 US disclosed