SCHEMBL6582938

SCHEMBL6582938

O=C(C=Cc1ccccn1)Nc1ccccc1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47
▸ TUBB1 Q9H4B7 1/20 0.47
▸ MMP1 P03956 5/20 0.45
▸ MMP2 P08253 5/20 0.45
▸ MMP9 P14780 5/20 0.45

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
SCHEMBL6582936 1.00 NPC1 (0.51) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL9767884 0.82 TRPM2 (0.60) NPC1RAB9AHSP90AA1KDM4ERECQL
SCHEMBL13320651 0.82 TRPM2 (0.60) NPC1RAB9AHSP90AA1KDM4ERECQL
SCHEMBL530137 0.81 MMP1 (0.70) NPC1RAB9AMMP1MMP2MMP9
SCHEMBL1959389 0.81 MMP1 (0.70) NPC1RAB9AMMP1MMP2MMP9
SCHEMBL13352230 0.80 MMP1 (0.64) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL20657312 0.80 HDAC1 (0.47) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL10938927 0.77 KDM4E (0.67) KDM4ERECQLMAPT
SCHEMBL529589 0.76 FABP4 (0.49) MMP1MMP2MMP9EGFRMAOA
SCHEMBL529588 0.76 FABP4 (0.49) MMP1MMP2MMP9EGFRMAOA

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-0846689-B1 Benzimidazole compounds PFIZER (US) 2004-01-14 — — EP disclosed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 — — EP disclosed
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