SCHEMBL9080438

SCHEMBL9080438

O=C(O)c1cn(CCF)c2c(Cl)c(N3CCNC4(CC4)C3)c(F)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
PMP22 Q01453 1/20 0.46
POLB P06746 2/20 0.45
OPRM1 P35372 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRD1 P41143 1/20 0.45
LMNA P02545 2/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 2/20 0.41
CYP2C9 P11712 2/20 0.41
ATP6V1B2 P21281 1/20 0.41
TBXA2R P21731 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
SCHEMBL9078406 0.96 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9078802 0.91 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9080323 0.91 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9080171 0.89 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9078046 0.88 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9078290 0.88 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9079476 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9080381 0.85 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9078545 0.84 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9080126 0.83 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed