SCHEMBL11481046

SCHEMBL11481046

O=C(Nc1ccc(Cl)cc1)c1cc(O)cc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 1/20 0.58
▸ P2RX1 P51575 1/20 0.54
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ GAA P10253 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ F10 P00742 4/20 0.53
▸ TMPRSS4 Q9NRS4 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KDR P35968 2/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PNLIP P16233 1/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL9706802 0.88 DEGS1 (0.60) DEGS1MEN1KMT2AGAAKDM4E
SCHEMBL4811940 0.84 DEGS1 (0.65) DEGS1P2RX1MEN1KMT2AKDR
SCHEMBL9218136 0.80 CYP1A2 (0.58) MEN1KMT2ANPC1RAB9AAKR1C3
SCHEMBL12521515 0.80 MAPT (0.51) DEGS1P2RX1MEN1KMT2AGAA
SCHEMBL10885167 0.78 PLG (0.71) DEGS1P2RX1MEN1KMT2AGAA
SCHEMBL30637146 0.78 NPC1 (0.73) P2RX1MEN1KMT2AGAAKDM4E
SCHEMBL29403111 0.78 NPC1 (0.73) P2RX1MEN1KMT2AGAAKDM4E
SCHEMBL2743095 0.78 NPC1 (0.73) P2RX1MEN1KMT2AGAAKDM4E
SCHEMBL11430394 0.78 MEN1 (0.56) DEGS1P2RX1MEN1KMT2AGAA
SCHEMBL5343355 0.77 ALDH1A1 (0.63) MEN1KMT2AKDM4EMAPTUSP2

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-4229343-A Azo dyes from an oxadiazolyl-substituted aniline BASF AKTIENGESELLSCHAFT (DE) 1980-10-21 — — US disclosed
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