SCHEMBL7203009

SCHEMBL7203009

C=Cc1nccn1CCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.57
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TBXAS1 P24557 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL28278332 0.98 TLR8 (0.56) TLR8ALDH1A1KMT2APOLBCA1
SCHEMBL3419618 0.98 TLR8 (0.56) TLR8ALDH1A1KMT2APOLBCA1
SCHEMBL29391 0.95 ALDH1A1 (0.58) TLR8ALDH1A1KMT2APOLBCA1
Bromide SCHEMBL28118817 0.93 ALDH1A1 (0.56) TLR8ALDH1A1KMT2APOLBCA1
SCHEMBL28155209 0.93 ALDH1A1 (0.56) TLR8ALDH1A1KMT2APOLBCA1
SCHEMBL28877651 0.89 ALDH1A1 (0.51) TLR8ALDH1A1KMT2APOLBCA1
SCHEMBL9070573 0.87 ALDH1A1 (0.43) TLR8ALDH1A1KMT2APOLBMAPT
Bromide SCHEMBL30689145 0.86 ALDH1A1 (0.42) TLR8ALDH1A1KMT2APOLB
SCHEMBL5655364 0.83 TLR8 (0.57) TLR8ALDH1A1KMT2APOLBCA1
SCHEMBL30905635 0.82 TLR8 (0.41) TLR8ALDH1A1KMT2APOLBCA1

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-2003106522-A1 POLYOXYALKYLENE-SUBSTITUTED ALKYLENE DIAMINES AND THE USE THEREOF IN COSMETIC FORMULATIONS BASF AKTIENGESELLSCHAFT (DE) 2003-12-24 WO claimed