SCHEMBL28546405

SCHEMBL28546405

c1ccc(Cn2c(-c3ccccc3)cc3c2CCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.48
PKN2 Q16513 1/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BRD4 O60885 1/20 0.47
SLC2A1 P11166 1/20 0.47
HPGD P15428 1/20 0.45
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CNR1 P21554 1/20 0.40
FABP4 P15090 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL11867640 0.83 HPGD (0.49) PKN1PKN2LMNAHPGDTP53
SCHEMBL4926544 0.80 BRD4 (0.46) RAB9ALMNATSHRHTTSMN1; SMN2
SCHEMBL10865148 0.79 SMN1; SMN2 (0.49) RAB9ALMNATSHRHTTSMN1; SMN2
SCHEMBL12091648 0.78 PKN1 (0.51) PKN1PKN2RAB9ALMNASMN1; SMN2
SCHEMBL10592159 0.76 CCR2 (0.52) RAB9ALMNATSHRHTTSMN1; SMN2
SCHEMBL11389479 0.75 HRH1 (0.47) LMNATSHRSMN1; SMN2HPGDCNR1
SCHEMBL11388562 0.75 HPGD (0.45) LMNAHTTSMN1; SMN2HPGDCNR1
SCHEMBL11390451 0.74 MAPT (0.51) LMNAHPGDTP53MAPT
Hydrochloric Acid SCHEMBL11868987 0.74 HRH1 (0.46) LMNATSHRSMN1; SMN2HPGDCNR1
Hydrochloric Acid SCHEMBL11871667 0.73 MAPT (0.50) LMNASMN1; SMN2HPGDTP53MAPT

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-107496419-B Cyclopenta [ b ] pyrrole compound with anti-inflammatory activity 兰州大学 2021-03-23 CN disclosed