SCHEMBL30835005

SCHEMBL30835005

Brc1cccc(-c2cccc(Br)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
METAP2 P50579 1/20 0.55
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 2/20 0.53
HK1 P19367 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
DCUN1D1 Q96GG9 2/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MPI P34949 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL19831019 1.00 IDO1 (0.55) IDO1METAP2RAB9AALDH1A1HPGD
SCHEMBL17460455 0.89 RAB9A (0.58) IDO1METAP2RAB9AALDH1A1HPGD
SCHEMBL29473316 0.89 RAB9A (0.58) IDO1METAP2RAB9AALDH1A1HPGD
SCHEMBL16675045 0.85 RAB9A (0.44) IDO1METAP2RAB9AALDH1A1HPGD
SCHEMBL20481867 0.82 MEN1 (0.52) RAB9ANPC1MEN1KMT2AGABRG2
SCHEMBL28286336 0.81 SNCA (0.43) IDO1METAP2RAB9AALDH1A1HPGD
SCHEMBL3768 0.80 MEN1 (0.68) IDO1METAP2RAB9AALDH1A1HPGD
SCHEMBL10374937 0.80 CCR1 (0.56) IDO1METAP2RAB9AALDH1A1HPGD
SCHEMBL12984592 0.80 IDO1 (0.51) IDO1METAP2RAB9AALDH1A1NPC1
SCHEMBL23598723 0.77 MEN1 (0.70) IDO1METAP2RAB9AALDH1A1HPGD

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-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 CN disclosed