SCHEMBL11374270

SCHEMBL11374270

CCOC(=O)c1ccc2nc(-c3ccccc3OC(C)C)[nH]c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ GUSB P08236 2/20 0.52
▸ PDE5A O76074 5/20 0.49
▸ MAPT P10636 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAT2A P31153 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HCRTR1 O43613 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44

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
SCHEMBL11375840 0.89 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10GUSB
SCHEMBL11375677 0.88 PDE5A (0.54) KDM4EHPGDHSD17B10GUSBPDE5A
SCHEMBL11380795 0.86 PDE5A (0.55) KDM4EHPGDHSD17B10GUSBPDE5A
SCHEMBL11384809 0.85 GUSB (0.56) ALDH1A1KDM4EHPGDHSD17B10GUSB
SCHEMBL11378233 0.85 GUSB (0.55) ALDH1A1KDM4EHPGDHSD17B10GUSB
SCHEMBL11377859 0.82 GUSB (0.51) ALDH1A1KDM4EHPGDHSD17B10GUSB
SCHEMBL11553644 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10GUSB
SCHEMBL11384695 0.79 GUSB (0.71) GUSBPDE5AMAPTTP53MEN1
SCHEMBL10205334 0.78 GUSB (0.68) KDM4EHPGDGUSBPDE5ARAB9A
SCHEMBL11389503 0.78 TNKS (0.58) GUSBMEN1KMT2APOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
Send feedback