SCHEMBL22517469

SCHEMBL22517469

CC(C)c1nnc(CN2Cc3ccccc3C2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 2/20 0.40
KCNH2 Q12809 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.39
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CARM1 Q86X55 1/20 0.35

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
SCHEMBL23023786 0.73 PIK3CG (0.42) KMT2AALDH1A1RAB9AATMKCNH2
SCHEMBL24278697 0.73 TLR9 (0.36) KMT2AALDH1A1RAB9AATMKCNH2
SCHEMBL22515493 0.70 RAB9A (0.39) KMT2AALDH1A1RAB9AATMKCNH2
SCHEMBL15290928 0.69 RAB9A (0.59) KMT2AALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL21169197 0.67 ALDH1A1 (0.51) ALDH1A1MAPTHPGDTSHRLMNA
SCHEMBL19203780 0.66 KMT2A (0.51) KMT2AALDH1A1RAB9AATMPOLB
SCHEMBL25017779 0.65 GRIN1 (0.30) GRIN1GRIN2B
SCHEMBL13856441 0.63 NOTUM (0.42)
SCHEMBL22600415 0.63 NOTUM (0.42) GRIN1GRIN2B
SCHEMBL11325095 0.63 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAGRIN1

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-2020205989-A1 SMALL MOLECULE PROMOTING OSTEOBLAST DIFFERENTIATION CORNELL UNIVERSITY (US) 2020-10-08 WO disclosed