SCHEMBL9678802

SCHEMBL9678802

c1c[nH]c2cc3cccnc3c-2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.47
CCR8 P51685 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CCR5 P51681 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47
THPO P40225 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
SCHEMBL9864565 0.86 LMNA (0.52) CCR1CCR8MAPTLMNASMN1; SMN2
SCHEMBL12075149 0.72 LMNA (0.53) CCR1CCR8MAPTLMNASMN1; SMN2
SCHEMBL26053434 0.71 ITK (0.60) CCR1CCR8MAPTLMNASMN1; SMN2
SCHEMBL1780752 0.70 RIPK1 (0.55) RIPK1AXLNUDT1
SCHEMBL940321 0.69 KDM4E (0.46) MAPTTDP1TSHRKDM4ECYP2D6
SCHEMBL1282008 0.69 CCR1 (0.75) CCR1CCR8MAPTLMNASMN1; SMN2
SCHEMBL30184687 0.69 CCR1 (0.75) CCR1CCR8MAPTLMNASMN1; SMN2
SCHEMBL1849192 0.69 TOP1 (0.45) CCR1CCR8MAPTLMNASMN1; SMN2
SCHEMBL9825204 0.68 KDM4E (0.52) CCR1CCR8MAPTLMNASMN1; SMN2
SCHEMBL17334526 0.67 CCR1 (0.62) CCR1CCR8MAPTLMNASMN1; 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
EP-0137333-B1 SPIRO-TRICYCLICAROMATIC SUCCINIMIDE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE ALCON LABORATORIES, INC. (US) 1992-12-30 EP disclosed