SCHEMBL7192728

SCHEMBL7192728

C/C(=N\NC(=O)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ MEN1 O00255 5/20 1.00
▸ KMT2A Q03164 5/20 1.00
▸ NPC1 O15118 4/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ NFKB1 P19838 1/20 1.00
▸ CASP3 P42574 1/20 1.00
▸ NFKB2 Q00653 1/20 1.00
▸ RELA Q04206 1/20 1.00
▸ SENP7 Q9BQF6 1/20 1.00
▸ SENP6 Q9GZR1 1/20 1.00
▸ MAPT P10636 8/20 0.68
▸ ALDH1A1 P00352 6/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ CA1 P00915 2/20 0.68
▸ CA2 P00918 2/20 0.68
▸ CA4 P22748 2/20 0.68

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
SCHEMBL5799955 1.00 RAB9A (1.00) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5732784 0.90 RAB9A (0.81) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1563352 0.90 RAB9A (0.81) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1563351 0.90 RAB9A (0.81) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27532371 0.88 RAB9A (0.78) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27178213 0.85 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27177891 0.85 MAPT (0.83) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13576535 0.85 ALDH1A1 (0.78) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27178177 0.85 MAPT (0.83) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27178327 0.85 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2MEN1KMT2ANPC1

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-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 — — US disclosed
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