SCHEMBL9034743

SCHEMBL9034743

COc1cc2c3c(c1)nc(-c1ccccc1)n3CCC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
PARP1 P09874 3/20 0.46
PDE5A O76074 5/20 0.41
CYP1A2 P05177 5/20 0.41
CYP1A1 P04798 4/20 0.41
CYP1B1 Q16678 4/20 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
SCHEMBL9036385 0.83 PARP1 (0.38) PARP1PDE5ACYP1A2CYP1A1CYP1B1
SCHEMBL9036389 0.83 PARP1 (0.38) PARP1PDE5ACYP1A2CYP1A1CYP1B1
SCHEMBL9034715 0.81 PARP1 (0.48) PARP1CYP1A2CYP1A1CYP1B1KDM4E
SCHEMBL6199833 0.78 PARP1 (0.66) PARP1HTR3A
SCHEMBL6982697 0.70 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23959783 0.69 CYP1A2 (0.44) CYP1A2ALDH1A1KMT2APOLBHPGD
SCHEMBL9035190 0.68 PARP1 (0.41) PARP1ALDH1A1KMT2AHPGDKDM4E
SCHEMBL8824023 0.68 PARP1 (0.68) PARP1HTR3A
SCHEMBL6971863 0.66 ALDH1A1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL423080 0.66 PARP1 (0.56) PARP1HTR3A

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-0405442-B1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARM CO LTD (JP) 1996-09-04 EP disclosed
US-5151431-A Diuretics MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-09-29 US disclosed
EP-0405442-A1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed