SCHEMBL19597372

SCHEMBL19597372

O=C(Nc1cccc(Cl)c1Cl)[C@H]1OC1C(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL17708323 1.00 TSHR (0.45) TSHRMEN1KMT2ALMNAMAPT
SCHEMBL19597244 0.92 ALDH1A1 (0.44) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL17708325 0.92 ALDH1A1 (0.44) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL16276299 0.89 MAPT (0.45) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL16276133 0.83 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL16276151 0.83 ALDH1A1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL16276132 0.81 THRB (0.46) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL16276130 0.80 ALDH1A1 (0.47) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL16276131 0.80 F13A1 (0.57) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL17676842 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A

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
EP-3006432-B1 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-11-15 — — EP disclosed
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