SCHEMBL7586423

SCHEMBL7586423

O=c1c2ccccc2cnn1CNc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.50
▸ PKM P14618 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ TERT O14746 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL7587363 0.89 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL7588481 0.86 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL7590779 0.83 AKR1B1 (0.45) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL7587542 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TDP1PKM
SCHEMBL7589532 0.83 NPC1 (0.50) NPC1RAB9ALMNATDP1PKM
SCHEMBL7761997 0.82 ALOX5 (0.43) NPC1RAB9ATDP1PKMMITF
SCHEMBL7586791 0.80 NPBWR1 (0.48) NPC1RAB9ASMN1; SMN2TDP1PKM
SCHEMBL7759225 0.79 GAA (0.44) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL7587105 0.76 MAPT (0.48) NPC1RAB9ASMN1; SMN2TDP1PKM
SCHEMBL6281567 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNATDP1

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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