SCHEMBL28091038

SCHEMBL28091038

Oc1ccn(-c2ccc(Br)cc2Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.41
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
OPRD1 P41143 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL6432698 0.83 MAPT (0.42) ALOX15RAB9AMAPTALDH1A1KDM4E
SCHEMBL15352629 0.78 MGLL (0.37) RAB9AMAPTALDH1A1KDM4EGAA
SCHEMBL30623762 0.78 ALDH1A1 (0.33) RAB9AMAPTALDH1A1KDM4EGAA
SCHEMBL15352749 0.71 SMN1; SMN2 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL30264109 0.71 SMN1; SMN2 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL30264165 0.68 NOTUM (0.46) RAB9AMAPTALDH1A1KDM4EGAA
SCHEMBL7476273 0.68 NOTUM (0.46) RAB9AMAPTALDH1A1KDM4EGAA
SCHEMBL2752411 0.66 ALOX15 (0.33) ALOX15ALDH1A1OPRM1OPRK1OPRD1
SCHEMBL16555262 0.64 RAB9A (0.53) RAB9AMAPTALDH1A1KDM4EGAA
SCHEMBL17720575 0.64 RAB9A (0.53) RAB9AMAPTALDH1A1KDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801486-A Synthetic method of 1-(2,4 dibromophenyl)-3-pyrazol alcohol 常州大学 2016-07-27 CN disclosed
CN-105801486-A Synthetic method of 1-(2,4 dibromophenyl)-3-pyrazol alcohol 常州大学 2016-07-27 CN disclosed