SCHEMBL5422207

SCHEMBL5422207

CN(C)CCCCn1ncc(N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5422084 0.98 ALDH1A1 (0.37) NOS3NOS1NOS2HRH4HRH3
SCHEMBL14445294 0.98 ALDH1A1 (0.37) NOS3NOS1NOS2HRH4HRH3
SCHEMBL5416781 0.95 KDM4E (0.35) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL1799691 0.87 CNR1 (0.35) TSHRKDM4E
SCHEMBL3944376 0.81 TSHR (0.32) TSHRSIGMAR1
SCHEMBL3946873 0.80 SIGMAR1 (0.33) TSHRSIGMAR1
SCHEMBL2476916 0.80 TLR8 (0.41)
SCHEMBL5418457 0.80 CHRNB2 (0.35)
Hydrochloric Acid SCHEMBL6759507 0.79 TSHR (0.32) TSHR
SCHEMBL5422957 0.79 KDM2B (0.33) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed