SCHEMBL28041701

SCHEMBL28041701

C[C](C)CN1CCC(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
ATM Q13315 1/20 0.43
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
EBP Q15125 1/20 0.38
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
SRD5A1 P18405 5/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL26917652 0.78 ATM (0.62) ATMALDH1A1GAAKMT2ASRPK1
SCHEMBL15664326 0.77 NOTUM (0.51) NOTUMATMMAPTALDH1A1PARP1
SCHEMBL15663537 0.73 NOTUM (0.48) NOTUMATMMAPTALDH1A1SRD5A1
SCHEMBL1451477 0.73 NOTUM (0.64) NOTUMXIAPBIRC2USP2LMNA
SCHEMBL27874070 0.72 HRH3 (0.42) ATMPARP1PARP10HTT
SCHEMBL3530939 0.70 NOTUM (0.44) NOTUMMAPTALDH1A1KDRSRPK2
SCHEMBL2481136 0.69 MAPT (0.41) NOTUMATMMAPTALDH1A1XIAP
SCHEMBL15021599 0.69 ATM (0.42) NOTUMATMMAPTALDH1A1PARP1
SCHEMBL14564428 0.69 CHRM2 (0.46) NOTUMMAPTALDH1A1SRD5A1LMNA
SCHEMBL4692742 0.68 ATM (0.59) ATMALDH1A1GAAKMT2APSEN1

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
CN-104981470-A Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use Bayer Pharma AG 2015-10-14 CN disclosed