SCHEMBL30250412

SCHEMBL30250412

Cc1nc(-c2cncnc2)nc(Br)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
HCAR2 Q8TDS4 3/20 0.40
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 4/20 0.37
RXFP1 Q9HBX9 2/20 0.36
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ERN1 O75460 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3764919 0.70 ALDH1A1 (0.45) ARHCAR2KDM4EKMT2ARXFP1
SCHEMBL4244222 0.68 KDM4E (0.49) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL4395939 0.67 KDM4E (0.65) KDM4EKMT2ARXFP1PRNPPPARG
SCHEMBL23605382 0.66 KDM4E (0.50) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL6733261 0.65 HCAR2 (0.63) ARHCAR2KDM4EKMT2AALDH1A1
SCHEMBL28956934 0.65 KMT2A (0.49) KDM4EKMT2AALDH1A1MEN1RAB9A
Hydrochloric Acid SCHEMBL11481691 0.64 ALDH1A1 (0.36) KMT2ARXFP1PRNPPPARGNR2E3
SCHEMBL30033127 0.63 HCAR2 (0.67) ARHCAR2KDM4EALDH1A1HSD17B10
SCHEMBL12543204 0.62 KMT2A (0.51) KDM4EKMT2AALDH1A1HTTMEN1
SCHEMBL14983679 0.61 ROCK2 (0.35) ALDH1A1

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-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed