SCHEMBL8908471

SCHEMBL8908471

O=C1c2ccccc2C(=O)N1CCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCN5C(=O)c6ccccc6C5=O)c4)c4ccc([nH]4)c(-c4cccc(OCCCN5C(=O)c6ccccc6C5=O)c4)c4nc(c(-c5cccc(OCCCN6C(=O)c7ccccc7C6=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.52
▸ MAPT P10636 4/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HEXA P06865 1/20 0.39
▸ HEXB P07686 1/20 0.39
▸ BACE1 P56817 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL10050486 0.84 RAB9A (0.51) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10075064 0.83 RAB9A (0.49) RAB9AMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL10050504 0.81 RAB9A (0.52) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL14528653 0.81 RAB9A (0.46) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10074756 0.79 RAB9A (0.50) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL8909559 0.79 TERT (0.42) —
SCHEMBL6843058 0.79 CYP1A2 (0.48) MAPTSMN1; SMN2KMT2ACYP1A2CYP2D6
SCHEMBL10050501 0.78 RAB9A (0.44) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10677584 0.78 RAB9A (0.75) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL8953505 0.78 MAPT (0.50) MAPTSMN1; SMN2KMT2AHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP disclosed
WO-1994019352-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-09-01 — — WO disclosed
Send feedback