SCHEMBL11144243

SCHEMBL11144243

OCN=C(Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R38 P59533 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ KDM1A O60341 1/20 0.41

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
SCHEMBL27815262 0.81 SMN1; SMN2 (0.50) HSD17B10TP53TSHRALDH1A1EPHX2
Bromide SCHEMBL29489334 0.79 HDAC3 (0.43) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL871606 0.73 TAS2R38 (0.50) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL17773397 0.72 ALDH1A1 (0.44) TAS2R38HSD17B10TP53ALDH1A1KMT2A
SCHEMBL28258463 0.71 TAS2R38 (0.50) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL11184467 0.71 TAS2R38 (0.50) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL18464422 0.71 SMN1; SMN2 (0.39) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL78799 0.70 KMT2A (0.63) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL27590292 0.68 TP53 (0.56) HSD17B10TP53TSHREPHX2EPHX1
Hydrochloric Acid SCHEMBL3143816 0.68 KMT2A (0.61) TAS2R38HSD17B10TP53TSHRALDH1A1

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-4397676-A HERBICIDES GESHURI LABORATORIES LTD. (IL) 1983-08-09 — — US disclosed
Send feedback