SCHEMBL6544035

SCHEMBL6544035

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc[c]c(C(C)(C)C)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
PLK1 P53350 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
Bromide SCHEMBL1731167 0.84 MAPT (0.45) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729176 0.84 MAPT (0.45) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729276 0.84 MAPT (0.41) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL6544593 0.84 F2R (0.36) F2RKDM4EMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL1730994 0.83 F2R (0.44) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729267 0.83 F2R (0.42) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL6543728 0.83 F2R (0.43) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1730879 0.83 RAB9A (0.38) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL14449014 0.83 F2R (0.45) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1730898 0.83 F2R (0.45) F2RKDM4EMAPTRAB9ANPC1

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-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed