SCHEMBL21160822

SCHEMBL21160822

C/C=C\C(=C/CC)c1ccc2ncccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALOX15 P16050 1/20 0.48
PLK1 P53350 1/20 0.48
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
DOT1L Q8TEK3 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL22598123 0.79 RAB9A (0.38) HTTALOX15PLK1ALDH1A1SMN1; SMN2
SCHEMBL20748738 0.71 CYP1A2 (0.30) POLB
SCHEMBL4402960 0.71 ALOX15 (0.63) HTTALOX15PLK1ALDH1A1SMN1; SMN2
SCHEMBL6838562 0.70 HTT (0.36) HTTALDH1A1SMN1; SMN2CYP3A4KDM4E
SCHEMBL6838561 0.70 HTT (0.36) HTTALDH1A1SMN1; SMN2CYP3A4KDM4E
SCHEMBL21160404 0.69 CTNNB1 (0.45) TAS1R3TAS1R1
SCHEMBL22600767 0.69 ATM (0.41) LMNARAB9ANPC1CYP3A4MAPT
SCHEMBL6879793 0.69 HTT (0.49) HTTALOX15PLK1ALDH1A1SMN1; SMN2
SCHEMBL6879786 0.69 HTT (0.49) HTTALOX15PLK1ALDH1A1SMN1; SMN2
SCHEMBL11062803 0.69 ALDH1A1 (0.53) HTTALOX15PLK1ALDH1A1SMN1; SMN2

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
EP-3508223-B1 COMPOSITION FOR ACTIVATING NEUROGENESIS UNIV KYOTO (JP) 2022-05-04 EP disclosed
EP-3508223-A1 COMPOSITION FOR ACTIVATING NEUROGENESIS Kyoto University (JP) 2019-07-10 EP disclosed