SCHEMBL7587363

SCHEMBL7587363

O=c1c2ccccc2cnn1CNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.55
▸ RAB9A P51151 7/20 0.55
▸ MITF O75030 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ PLA2G10 O15496 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP9 P14780 1/20 0.42

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
SCHEMBL7586423 0.89 NPC1 (0.55) NPC1RAB9AMITFPKMTDP1
SCHEMBL7588481 0.89 NPC1 (0.47) NPC1RAB9AMITFPKMTDP1
SCHEMBL7587542 0.88 NPC1 (0.56) NPC1RAB9AMITFPKMTDP1
SCHEMBL7590779 0.85 AKR1B1 (0.45) NPC1RAB9AMITFPKMTDP1
SCHEMBL7589532 0.85 NPC1 (0.50) NPC1RAB9AMITFPKMTDP1
SCHEMBL7761997 0.84 ALOX5 (0.43) NPC1RAB9AMITFPKMTDP1
SCHEMBL7587105 0.83 MAPT (0.48) NPC1RAB9AMITFPKMTDP1
SCHEMBL7586791 0.82 NPBWR1 (0.48) NPC1RAB9AMITFPKMTDP1
SCHEMBL7759225 0.81 GAA (0.44) NPC1RAB9AMITFPKMTDP1
SCHEMBL7591588 0.77 NPC1 (0.44) NPC1RAB9AMITFPKMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231982-A2 USE OF PHTHALAZINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-08-21 — — EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 — — WO disclosed
WO-2000067734-A2 USE OF PHTHALAZINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 — — WO disclosed
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