SCHEMBL7587105

SCHEMBL7587105

O=c1c2ccccc2cnn1CNc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ AKR1B1 P15121 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ IDH2 P48735 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL7590779 0.88 AKR1B1 (0.45) MAPTAKR1B1SMN1; SMN2TDP1RXFP1
SCHEMBL7587363 0.83 NPC1 (0.55) MAPTSMN1; SMN2TDP1RXFP1KMT2A
SCHEMBL7586791 0.78 NPBWR1 (0.48) MAPTSMN1; SMN2TP53TDP1KMT2A
SCHEMBL7588481 0.76 NPC1 (0.47) MAPTSMN1; SMN2TDP1RXFP1KMT2A
SCHEMBL7586423 0.76 NPC1 (0.55) MAPTAKR1B1SMN1; SMN2TDP1RXFP1
SCHEMBL7587542 0.73 NPC1 (0.56) SMN1; SMN2TDP1KMT2ANPC1RAB9A
SCHEMBL7589532 0.73 NPC1 (0.50) MAPTTDP1KMT2ANPC1RAB9A
SCHEMBL7761997 0.72 ALOX5 (0.43) MAPTTDP1RXFP1KMT2AMEN1
SCHEMBL7759225 0.70 GAA (0.44) MAPTSMN1; SMN2TP53TDP1KMT2A
SCHEMBL9736467 0.70 AKR1B1 (0.64) AKR1B1

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
Send feedback