SCHEMBL30849286

SCHEMBL30849286

Cc1ccc2c(c1)[nH]c1cccc(C(N)=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.50
PARP1 P09874 5/20 0.46
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 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
SCHEMBL15995219 0.84 HTR7 (0.46) KIF11PARP1JAK2KDM4EALDH1A1
SCHEMBL6129592 0.81 IMPDH2 (0.55) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL30006934 0.81 IMPDH2 (0.55) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL15995032 0.81 BTK (0.46) KIF11PARP1JAK2BTK
SCHEMBL28058638 0.80 PARP1 (0.49) KIF11PARP1CDK4CCND1JAK2
SCHEMBL27982181 0.80 ALDH1A1 (0.49) KIF11PARP1CDK4CCND1JAK2
SCHEMBL15994776 0.80 BTK (0.50) KIF11PARP1JAK2BTK
SCHEMBL28058608 0.79 KDM4E (0.45) KIF11PARP1JAK2KDM4EALDH1A1
SCHEMBL15994772 0.77 PARP1 (0.46) PARP1JAK2ALDH1A1BTK
SCHEMBL22514642 0.76 KIF11 (0.61) KIF11PARP1CDK4CCND1CAMK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448378-B1 PLA2 AND HMG-COA INHIBITORS FOR TREATMENT OF PATHOLOGICAL CONDITIONS CAUSING HEMOLYSIS, CEREBRAL EDEMA, AND ACUTE KIDNEY INJURY OPHIREX INC (US) 2024-04-17 EP disclosed