SCHEMBL5011455

SCHEMBL5011455

C1=CN(Cc2ccccc2)C(Cc2ccccc2)=CN=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.34
CYP19A1 P11511 4/20 0.34
DHFR P00374 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
NSD2 O96028 1/20 0.32
HPGD P15428 1/20 0.32
IDO1 P14902 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
CTRC Q99895 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL30445901 0.66 CYP19A1 (0.38) CYP19A1KDM4ETSHRNPSR1SIGMAR1
SCHEMBL1249231 0.62 CYP19A1 (0.38) CYP19A1KDM4ETSHRNPSR1SIGMAR1
SCHEMBL1078286 0.62 SIGMAR1 (0.48) CALM1CYP19A1LMNAKDM4ESIGMAR1
Hydrochloric Acid SCHEMBL9365933 0.62 CYP19A1 (0.32) CYP19A1LMNAKDM4ETSHRNPSR1
SCHEMBL5668043 0.59 SIGMAR1 (0.41) CYP19A1LMNAKDM4ETSHRNPSR1
Hydrochloric Acid SCHEMBL29906145 0.59 GSK3A (0.37) CYP19A1DHFRLMNAKDM4ESIGMAR1
SCHEMBL9030241 0.58 P2RX4 (0.37) CYP19A1DHFRLMNASIGMAR1NSD2
Diphenylmethane SCHEMBL1303 0.57 CALM1 (1.00) CALM1LMNAKDM4ETSHRHPGD
Diphenylmethane SCHEMBL3792579 0.57 CALM1 (1.00) CALM1LMNAKDM4ETSHRHPGD
Diphenylmethane SCHEMBL4361124 0.57 CALM1 (1.00) CALM1LMNAKDM4ETSHRHPGD

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
EP-1989188-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS Helicon Therapeutics, Inc. (US) 2008-11-12 EP disclosed
WO-2007100852-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed