SCHEMBL16735645

SCHEMBL16735645

Oc1ccc(-c2ccccc2-c2c[nH]nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ESR2 Q92731 2/20 0.40
HPGDS O60760 1/20 0.40
MAOB P27338 1/20 0.40
RPS6KA3 P51812 4/20 0.39
DYRK1A Q13627 1/20 0.38
MMP3 P08254 1/20 0.38
BCL2L1 Q07817 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5612902 0.85 AKT1 (0.41) MAPTNPC1PKMRAB9ASMN1; SMN2
SCHEMBL31231553 0.85 AKT1 (0.41) MAPTNPC1PKMRAB9ASMN1; SMN2
SCHEMBL2197897 0.83 ALDH1A1 (0.38) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL415 0.83 NPC1 (0.40) MAPTMEN1KMT2ANPC1PKM
SCHEMBL718333 0.81 MAPT (0.45) MAPTMEN1KMT2ANPC1PKM
SCHEMBL1042068 0.80 IDO1 (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30549532 0.78 IDO1 (0.47) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL207829 0.78 IDO1 (0.47) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1885427 0.77 ABL1 (0.73) ABL1ABCB1BCRMAPTMEN1
Hydrochloric Acid SCHEMBL30549508 0.77 IDO1 (0.46) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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
EP-2632905-B1 PROCESS FOR PREPARING 2-HYDROXYPHENYL BENZOTRIAZOLE SILOXANE COMPOUNDS ORÉAL L (FR) 2015-05-27 EP claimed