SCHEMBL7703259

SCHEMBL7703259

Cn1cccc1-c1nc2cc(Br)cc(N)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ADORA2A P29274 12/20 0.35
CYP11B2 P19099 1/20 0.35
NAMPT P43490 1/20 0.33

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
SCHEMBL7142283 0.81 ALOX15 (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6869047 0.78 ADORA2A (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL7434291 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6868263 0.74 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6867473 0.74 KMT2A (0.43) ALDH1A1MAPTKMT2ALMNATP53
SCHEMBL6868324 0.72 NAMPT (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6871320 0.72 SMN1; SMN2 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7428728 0.71 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6868261 0.71 NPC1 (0.48) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL7428936 0.71 SMN1; SMN2 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A

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-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed