SCHEMBL10339293

SCHEMBL10339293

O=C(Nc1ccccc1O)C(Cl)Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.62
▸ GAA P10253 5/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ HPGD P15428 2/20 0.54
▸ NPC1 O15118 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ RAB9A P51151 4/20 0.51
▸ MAPT P10636 5/20 0.50
▸ PDK1 Q15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HPRT1 P00492 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 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
SCHEMBL8027655 0.82 TRPV1 (0.57) KMT2AGAAMEN1HPGDHTT
SCHEMBL9400389 0.81 NPC1 (0.66) KMT2AGAAMEN1HPGDNPC1
SCHEMBL11550498 0.80 ALDH1A1 (0.65) KMT2AGAAMEN1HPGDNPC1
SCHEMBL10447471 0.80 TP53 (0.67) KMT2AGAAMEN1HPGDNPC1
SCHEMBL8030732 0.78 IDO1 (0.67) KMT2AMEN1HPGDHTTMAPT
SCHEMBL7723381 0.77 GAA (0.59) KMT2AGAAMEN1HPGDNPC1
SCHEMBL1549839 0.76 NPC1 (0.63) KMT2AGAAMEN1HPGDNPC1
SCHEMBL29473469 0.76 NPC1 (0.63) KMT2AGAAMEN1HPGDNPC1
SCHEMBL20332450 0.76 TSHR (0.70) KMT2AGAAMEN1HPGDNPC1
SCHEMBL14577684 0.76 KDM4E (0.63) KMT2AMEN1HPGDNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2194019-A — — None — — JP disclosed
JP-H02194019-A FLAME-RESISTANT POLYCARBONATE AND ITS PRODUCTION ENICHEM TECNORESINE SPA 1990-07-31 — — JP disclosed
US-4026940-A CLEAVING TERT-BUTYL ESTER WITH STRONG ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-05-31 — — US disclosed
US-3954826-A ANTIBACTERIAL INTERMEDIATES TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-05-04 — — US disclosed
Send feedback