SCHEMBL6971863

SCHEMBL6971863

COc1ccc2c(c1)c1cc(OC)cc3c1n2CCC3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
APAF1 O14727 1/20 0.41
PABPC1 P11940 1/20 0.41
PKM P14618 1/20 0.41
IDO1 P14902 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR6 P50406 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 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
SCHEMBL6981782 0.90 HTR2A (0.39) ALDH1A1MAPTAPAF1PABPC1PKM
SCHEMBL6982697 0.88 TUBB4A (0.42) ALDH1A1MAPTRAB9ATUBB4ATUBB
SCHEMBL6969812 0.82 APP (0.34) ALDH1A1MAPTAPAF1PABPC1PKM
SCHEMBL7667134 0.78 TUBB4A (0.33) ALDH1A1MAPTAPAF1PABPC1PKM
SCHEMBL6983511 0.76 TUBB4A (0.42) ALDH1A1MAPTAPAF1PABPC1PKM
SCHEMBL6981196 0.74 DRD2 (0.37) MCL1TDP1HTR6ACHE
SCHEMBL6982156 0.73 VHL (0.39) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL6981552 0.72 KMT2A (0.39) ALDH1A1MAPTMAPK1RAB9ANPSR1
SCHEMBL9264795 0.69 KDM4E (0.56) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL6978242 0.69 ACHE (0.39) ALDH1A1MAPTAPAF1PABPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed