SCHEMBL6948248

SCHEMBL6948248

O=C(O)c1c(F)ccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
RNASEH1 O60930 1/20 0.47
HDAC6 Q9UBN7 1/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX3 P56373 1/20 0.42
HDAC1 Q13547 1/20 0.41
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
GAA P10253 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40

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
SCHEMBL6946608 0.87 CREBBP (0.50) RAB9ANPC1RNASEH1HDAC6BRD4
SCHEMBL6947019 0.81 MAPT (0.44) RAB9ANPC1RNASEH1HDAC6BRD4
SCHEMBL15808367 0.81 PARP1 (0.41) POLB
SCHEMBL11563800 0.79 BRD4 (0.43) RAB9ANPC1RNASEH1HDAC6BRD4
SCHEMBL6948255 0.79 TUBB4A (0.48) RAB9ANPC1RNASEH1HDAC6ALDH1A1
SCHEMBL6948954 0.77 NPC1 (0.55) RAB9ANPC1RNASEH1HDAC6
SCHEMBL13544496 0.73 PARP1 (0.45) ALDH1A1
SCHEMBL13544493 0.73 PARP1 (0.45)
SCHEMBL6948937 0.73 DHODH (0.58) RAB9ANPC1RNASEH1HDAC6ALDH1A1
SCHEMBL6954309 0.73 MAPT (0.43) RAB9ANPC1RNASEH1HDAC6BRD4

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