SCHEMBL21899458

SCHEMBL21899458

C1=Cc2c([nH]c3c2CCCC3)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.32
HSD17B10 Q99714 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL14652652 0.82 SMN1; SMN2 (0.36) SMN1; SMN2ALOX15PARP1ALDH1A1TSHR
SCHEMBL20861256 0.74 SMN1; SMN2 (0.45) SMN1; SMN2ALOX15PARP1ALDH1A1TSHR
SCHEMBL11593915 0.71 SMN1; SMN2 (0.62) SMN1; SMN2ALOX15PARP1ALDH1A1TSHR
SCHEMBL18506621 0.69 SMN1; SMN2 (0.59) SMN1; SMN2ALOX15PARP1ALDH1A1TSHR
SCHEMBL18506623 0.69 SMN1; SMN2 (0.59) SMN1; SMN2ALOX15PARP1ALDH1A1TSHR
SCHEMBL24169930 0.64
SCHEMBL7359596 0.63 MEN1 (0.40) SMN1; SMN2PARP1ALDH1A1TSHRKDM4E
SCHEMBL3858956 0.62 SMN1; SMN2 (0.58) SMN1; SMN2ALOX15PARP1ALDH1A1TSHR
SCHEMBL11128515 0.61 SMN1; SMN2 (0.41) SMN1; SMN2ALOX15PARP1ALDH1A1TSHR
SCHEMBL19212160 0.61 ALDH1A1 (0.32) ALDH1A1MAPT

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
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO disclosed