SCHEMBL8945036

SCHEMBL8945036

Cc1ncc(C(CO)NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
SLC6A3 Q01959 1/20 0.34
KCNN4 O15554 2/20 0.33
CCNE1 P24864 4/20 0.32
CDK2 P24941 4/20 0.32
CDK5 Q00535 4/20 0.32
ALDH1A1 P00352 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32

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
SCHEMBL4986001 0.71 RIPK1 (0.45) KCNN4CDK2CDK5CDK1RIPK1
SCHEMBL23161596 0.71 RIPK1 (0.45) KCNN4CDK2CDK5CDK1RIPK1
SCHEMBL8945225 0.70 FAAH (0.35)
SCHEMBL10053574 0.66 KCNN4 (0.50) SLC6A3KCNN4ALDH1A1
SCHEMBL7479981 0.65 KCNN4 (0.43) KCNN4ALDH1A1
SCHEMBL18307299 0.63 KCNN4 (0.42) SLC6A3KCNN4ALDH1A1TRPV3
SCHEMBL3302429 0.63 KCNN4 (0.47) KCNN4ALDH1A1SMN1; SMN2
SCHEMBL7417618 0.63 KCNN4 (0.42) SLC6A3KCNN4ALDH1A1TRPV3
SCHEMBL7417614 0.63 KCNN4 (0.42) SLC6A3KCNN4ALDH1A1TRPV3
SCHEMBL3302423 0.63 KCNN4 (0.47) KCNN4ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578627-A FOR TREATING CEREBRAL CIRCULATORY DISORDER, HEAD INJURY SEQUELAE AND/OR EPILEPSY TOYAMA CHEMICAL CO., LTD. (JP) 1996-11-26 US disclosed
EP-0665226-A1 NOVEL 1,2-BENZISOXAZOLE DERIVATIVE OR SALT THEREOF, AND BRAIN PROTECTIVE AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1995-08-02 EP disclosed