SCHEMBL30299386

SCHEMBL30299386

CN1CCN(CC=Cc2ccc(C3(N)N=C(N)NN3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
MAPK1 P28482 3/20 0.37
TP53 P04637 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LTA4H P09960 1/20 0.36
CYP3A4 P08684 3/20 0.34
HIF1A Q16665 2/20 0.34
GMNN O75496 1/20 0.34
ABCB11 O95342 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL30299399 0.90 GPR4 (0.37) SIGMAR1TSHRALDH1A1LMNAKDM4E
SCHEMBL30299400 0.89 LTA4H (0.47) SIGMAR1TSHRALDH1A1LMNAKDM4E
SCHEMBL30299272 0.88 LTA4H (0.46) SIGMAR1TSHRALDH1A1LMNAKDM4E
SCHEMBL30299394 0.87 GPR4 (0.43) SIGMAR1ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL30299395 0.86 TSHR (0.38) SIGMAR1TSHRALDH1A1LMNAKDM4E
SCHEMBL30299374 0.83 SMN1; SMN2 (0.35) LMNAKDM4ESMN1; SMN2LTA4HGAA
SCHEMBL30299315 0.81 LMNA (0.52) ALDH1A1LMNAKDM4ETP53HRH3
SCHEMBL30299348 0.81 GPR4 (0.42) TSHRALDH1A1LMNAKDM4ELTA4H
SCHEMBL30299358 0.80 GPR4 (0.43) TSHRALDH1A1LTA4HOPRM1OPRK1
SCHEMBL4987905 0.79 GPR4 (0.33) KDM4EMAPT

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
CN-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed