SCHEMBL7590779

SCHEMBL7590779

O=c1c2ccccc2cnn1CNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ GPR139 Q6DWJ6 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ MPI P34949 1/20 0.39
▸ PHOSPHO1 Q8TCT1 1/20 0.39
▸ PDE9A O76083 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ TRPV1 Q8NER1 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
SCHEMBL7587105 0.88 MAPT (0.48) AKR1B1MAPTNPC1RAB9AMITF
SCHEMBL7587363 0.85 NPC1 (0.55) MAPTNPC1RAB9AMITFPKM
SCHEMBL7586791 0.84 NPBWR1 (0.48) MAPTNPC1RAB9AMITFPKM
SCHEMBL7588481 0.83 NPC1 (0.47) MAPTNPC1RAB9AMITFPKM
SCHEMBL7586423 0.83 NPC1 (0.55) AKR1B1MAPTNPC1RAB9AMITF
SCHEMBL7589532 0.80 NPC1 (0.50) MAPTNPC1RAB9AMITFPKM
SCHEMBL7587542 0.80 NPC1 (0.56) NPC1RAB9AMITFPKMTDP1
SCHEMBL7761997 0.79 ALOX5 (0.43) MAPTNPC1RAB9AMITFPKM
SCHEMBL7759225 0.76 GAA (0.44) MAPTNPC1RAB9AMITFPKM
SCHEMBL9228097 0.73 RAB9A (0.67) MAPTNPC1RAB9APOLBKMT2A

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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