SCHEMBL19860076

SCHEMBL19860076

O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2cnccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
TSHR P16473 2/20 0.61
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
REV1 Q9UBZ9 2/20 0.57
JAK2 O60674 1/20 0.56
JAK3 P52333 1/20 0.56
HTT P42858 2/20 0.56
POLB P06746 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
IMPDH2 P12268 1/20 0.55
ME2 P23368 1/20 0.55
ME1 P48163 1/20 0.55

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
SCHEMBL19860085 0.85 TERT (0.64) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL2162496 0.84 ALDH1A1 (0.58) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19860084 0.84 IMPDH2 (0.55) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL19860074 0.84 TERT (0.63) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL19860073 0.82 IMPDH2 (0.53) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL14124393 0.82 IMPDH2 (0.52) LMNAALDH1A1TSHRJAK2JAK3
SCHEMBL19860086 0.80 GSK3B (0.58) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL14124408 0.78 TERT (0.53) LMNAALDH1A1TSHRJAK2JAK3
SCHEMBL12746090 0.77 JAK3 (0.66) LMNAALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL26343148 0.76 MEN1 (0.69) LMNAALDH1A1TSHRMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed