SCHEMBL3944735

SCHEMBL3944735

CSc1nc(Cl)c(C(C)C)c(N2CCC(C)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 4/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 1/20 0.32

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
SCHEMBL4205235 0.87 SMN1; SMN2 (0.37) HTR2AHTR2CHTR2BSMN1; SMN2POLB
SCHEMBL3942636 0.77 ALDH1A1 (0.38) SMN1; SMN2POLBTDP1TSHRLMNA
SCHEMBL3943563 0.76 POLB (0.36) SMN1; SMN2POLBTDP1TSHRLMNA
SCHEMBL5526686 0.74 NPSR1 (0.46) SMN1; SMN2TSHRLMNAMAPTHTT
SCHEMBL3944338 0.73 LMNA (0.35) HTR2AHTR2CHTR2BSMN1; SMN2POLB
SCHEMBL3951275 0.71 PDE4A (0.37) SMN1; SMN2POLBTDP1TSHRLMNA
SCHEMBL5473951 0.71 LMNA (0.53) SMN1; SMN2TSHRLMNAMAPTHTT
SCHEMBL3944909 0.71 AKR1C3 (0.36) SMN1; SMN2POLBTDP1TSHRMAPT
SCHEMBL3946666 0.70 SMN1; SMN2 (0.32) SMN1; SMN2POLBTDP1TSHRMAPT
SCHEMBL3946661 0.70 KMT2A (0.33) SMN1; SMN2POLBTDP1TSHRKMT2A

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
WO-2009019099-A1 TETRASUBSTITUTED PYRIMIDINE DERIVATIVES FOR CONTROLLING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2009-02-12 WO disclosed