SCHEMBL6952013

SCHEMBL6952013

O=Cc1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ HTR6 P50406 2/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 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
SCHEMBL6953028 0.83 HDAC1 (0.49) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6953030 0.83 HDAC1 (0.49) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6753947 0.78 RAB9A (0.59) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6952019 0.77 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6948954 0.77 NPC1 (0.55) RAB9ANPC1HDAC6RNASEH1
SCHEMBL6953982 0.77 RAB9A (0.58) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6951815 0.76 ALOX5 (0.45) RAB9ANPC1MAPTALDH1A1HDAC6
SCHEMBL9636427 0.75 GAA (0.54) RAB9ANPC1MAPTALDH1A1HTR6
SCHEMBL29412049 0.75 PARP1 (0.60) RAB9ANPC1
SCHEMBL6945364 0.75 RAB9A (0.52) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 — — EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 — — US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 — — EP disclosed
Send feedback