SCHEMBL27890515

SCHEMBL27890515

CC(C)(C)OC(N)=O.Clc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PPARG P37231 1/20 0.38

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
SCHEMBL27745565 0.86 KMT2A (0.42) MEN1KMT2AGAACYP3A4CYP2D6
SCHEMBL27647920 0.84 POLB (0.49) MEN1KMT2ASMN1; SMN2NPC1RECQL
4-Chloroaniline SCHEMBL27831633 0.84 MAOA (0.44) MEN1KMT2ANPC1GAACYP3A4
SCHEMBL28299259 0.83 ALOX5 (0.46) MEN1KMT2ASMN1; SMN2NPC1RECQL
Chlorobenzene SCHEMBL27484099 0.81 KMT2A (0.42) MEN1KMT2AGAACYP3A4CYP2D6
SCHEMBL28807393 0.81 MEN1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL27805296 0.79 LMNA (0.43) KMT2ASMN1; SMN2NPC1RECQLRAB9A
SCHEMBL28652779 0.74 CYP2D6 (0.40) MEN1KMT2ASMN1; SMN2NPC1RECQL
SCHEMBL28902273 0.73 DGAT1 (0.42) SMN1; SMN2LMNAALDH1A1PMP22
SCHEMBL30234788 0.73 DGAT1 (0.42) SMN1; SMN2LMNAALDH1A1PMP22

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
CN-102712636-A Compounds and compositions as TLR activity modulators IRM LLC 2012-10-03 — — CN disclosed
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