SCHEMBL11544116

SCHEMBL11544116

OCCCCNn1cccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNH3 Q9ULD8 1/20 0.30

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
SCHEMBL11542932 0.82
SCHEMBL5521556 0.74 PRMT1 (0.45) ALDH1A1MAPTTSHR
SCHEMBL5517612 0.71 ATM (0.41) TSHR
SCHEMBL11741566 0.71
SCHEMBL4721360 0.67
SCHEMBL5007954 0.62 TP53 (0.39) KDM4EALDH1A1MAPT
SCHEMBL140259 0.60 CA2 (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL9693129 0.60 CA2 (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL9801330 0.58 CA2 (0.46) CA1CA2CA12CA9ALDH1A1
SCHEMBL9801336 0.58 CA2 (0.46) CA1CA2CA12CA9ALDH1A1

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-4169094-A Process for preparing aminoalkylpyrrolobenzoxazalkanes AMERICAN HOECHST CORPORATION (US) 1979-09-25 US disclosed
US-4169095-A Process for preparing aminoalkylpyrrolobenzoxazalkanes AMERICAN HOECHST CORPORATION (US) 1979-09-25 US disclosed
US-4107187-A Aminoalkylpyrrolobenzoxazalkanes AMERICAN HOECHST CORPORATION (US) 1978-08-15 US disclosed
US-4107074-A Process for preparing aminoalkylpyrrolobenzoxazalkanes AMERICAN HOECHST CORPORATION (US) 1978-08-15 US disclosed
US-4029672-A Aminoalkylpyrrolobenzoxazalkanes AMERICAN HOECHST CORPORATION (US) 1977-06-14 US disclosed