SCHEMBL29587111

SCHEMBL29587111

O=C(O)c1cnc(NC2CCCc3ccccc32)nc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 1/20 0.55
TSHR P16473 2/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
EPHX1 P07099 1/20 0.48
AURKA O14965 2/20 0.47
RPS6KB1 P23443 2/20 0.47
AURKB Q96GD4 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL28738811 1.00 HTT (0.56) HTTALDH1A1CYP1A2TSHRKMT2A
SCHEMBL28738809 0.92 ACACB (0.51) HTTALDH1A1CYP1A2TSHRAURKA
SCHEMBL17395307 0.89 KMT2A (0.56) HTTALDH1A1TSHRKMT2ALMNA
SCHEMBL29449949 0.88 ALDH1A1 (0.57) HTTALDH1A1TSHRKMT2ALMNA
SCHEMBL28731691 0.88 ALDH1A1 (0.57) HTTALDH1A1TSHRKMT2ALMNA
SCHEMBL21630699 0.83 KMT2A (0.52) HTTALDH1A1CYP1A2TSHRKMT2A
SCHEMBL31493850 0.83 KMT2A (0.52) HTTALDH1A1CYP1A2TSHRKMT2A
SCHEMBL28731702 0.83 KMT2A (0.52) HTTALDH1A1CYP1A2TSHRKMT2A
SCHEMBL15286477 0.81 LMNA (0.55) ALDH1A1TSHRLMNATAS1R3TAS1R1
SCHEMBL17395280 0.81 LMNA (0.55) HTTALDH1A1TSHRLMNAKDM4E

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
CN-114380751-B Indanamine derivatives, preparation method and application thereof 上海辉启生物医药科技有限公司 2025-03-07 CN disclosed
CN-114380751-A Indane amine derivatives, preparation method and application thereof 上海辉启生物医药科技有限公司 2022-04-22 CN disclosed