SCHEMBL11123274

SCHEMBL11123274

O=C(NCc1ccc(Cl)cc1)/C(I)=C(\Br)I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ CYP2C19 P33261 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ PLAAT3 P53816 1/20 0.50
▸ PLAAT5 Q96KN8 1/20 0.50
▸ PLAAT2 Q9NWW9 1/20 0.50
▸ PLAAT4 Q9UL19 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ THRB P10828 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ POLB P06746 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL11123275 1.00 MEN1 (0.58) MEN1KMT2ACYP2C19CYP2C9PLAAT3
SCHEMBL11125504 0.86 MEN1 (0.61) MEN1KMT2ACYP2C19CYP2C9PLAAT3
SCHEMBL11122992 0.83 SMN1; SMN2 (0.51) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL11122989 0.83 SMN1; SMN2 (0.51) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL11123351 0.83 KMT2A (0.51) MEN1KMT2ACYP2C19CYP2C9ALDH1A1
SCHEMBL11123350 0.83 KMT2A (0.51) MEN1KMT2ACYP2C19CYP2C9ALDH1A1
SCHEMBL11141109 0.81 GABRP (0.50) RAB9ANPC1GABRPGABRDGABRA1
SCHEMBL11141105 0.81 GABRP (0.50) RAB9ANPC1GABRPGABRDGABRA1
SCHEMBL11127241 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL11127239 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057058-B1 A METHOD OF PRESERVING ORGANIC MATERIALS FROM FUNGAL ATTACK AND A COMPOSITION FOR USE IN SUCH A METHOD SANKYO COMPANY LIMITED (JP) 1984-04-11 — — EP disclosed
US-4421766-A 3-HALO-2,3-DIIODOACRYLIC ACID OR ESTER SANKYO CO., LTD. (JP) 1983-12-20 — — US disclosed
EP-0057058-A1 A method of preserving organic materials from fungal attack and a composition for use in such a method SANKYO COMPANY LIMITED (JP) 1982-08-04 — — EP disclosed
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