SCHEMBL7586791

SCHEMBL7586791

O=c1c2ccccc2cnn1CNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.48
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ABL1 P00519 5/20 0.42
▸ BCR P11274 5/20 0.42
▸ TP53 P04637 2/20 0.42
▸ GPR139 Q6DWJ6 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40

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
SCHEMBL7590779 0.84 AKR1B1 (0.45) SMN1; SMN2RAB9ANPC1MITFPKM
SCHEMBL7589532 0.84 NPC1 (0.50) NPBWR1RAB9ANPC1MITFPKM
SCHEMBL7587542 0.84 NPC1 (0.56) SMN1; SMN2RAB9ANPC1MITFPKM
SCHEMBL7587363 0.82 NPC1 (0.55) SMN1; SMN2RAB9ANPC1MITFPKM
SCHEMBL7588481 0.80 NPC1 (0.47) HTTSMN1; SMN2RAB9ANPC1MITF
SCHEMBL7586423 0.80 NPC1 (0.55) SMN1; SMN2RAB9ANPC1MITFPKM
SCHEMBL12604468 0.79 NPC1 (0.51) NPBWR1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL7587105 0.78 MAPT (0.48) SMN1; SMN2RAB9ANPC1MITFPKM
SCHEMBL7761997 0.76 ALOX5 (0.43) HTTRAB9ANPC1MITFPKM
SCHEMBL9229803 0.75 NPC1 (0.62) NPBWR1SMN1; SMN2RAB9ANPC1MITF

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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