SCHEMBL24129236

SCHEMBL24129236

Cc1nc2ncnn2c(N2CCC2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX2 Q02962 1/20 0.63
ALDH1A1 P00352 9/20 0.61
LMNA P02545 5/20 0.61
TSHR P16473 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
USP2 O75604 2/20 0.61
MAPK1 P28482 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 2/20 0.56
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.51
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL24129343 0.97 PAX2 (0.63) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129395 0.95 PAX2 (0.61) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129415 0.83 PAX2 (0.56) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL18131066 0.83 PAX2 (0.60) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129329 0.83 PAX2 (0.55) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129327 0.81 PAX2 (0.54) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129393 0.81 PAX2 (0.54) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129211 0.81 PAX2 (0.54) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129095 0.81 PAX2 (0.47) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129361 0.81 SMN1; SMN2 (0.48) PAX2ALDH1A1LMNATSHRMEN1

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-2021257614-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-12-23 WO disclosed