SCHEMBL10693959

SCHEMBL10693959

CC(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
PTPN1 P18031 1/20 0.47
PGR P06401 1/20 0.47
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.45
KDM4A O75164 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACHE P22303 1/20 0.44
MMP13 P45452 1/20 0.43

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
SCHEMBL10708746 0.84 MAPT (0.50) MAPTLMNAPGRTP53MEN1
SCHEMBL10695610 0.81 MAPT (0.51) MAPTLMNATP53MEN1KDM4A
SCHEMBL10695502 0.80 MAPT (0.49) MAPTALDH1A1LMNATP53MEN1
SCHEMBL10697280 0.79 KMT2A (0.48) MAPTLMNATP53MEN1KDM4A
SCHEMBL10706414 0.79 MAPT (0.48) MAPTLMNATP53MEN1KDM4A
SCHEMBL16315749 0.78 ELANE (0.59) ELANEMAPTALDH1A1LMNATP53
SCHEMBL13233765 0.77 ELANE (0.58) ELANEMAPTALDH1A1PGRTP53
SCHEMBL7377135 0.77 ELANE (0.51) ELANEMAPTALDH1A1LMNATP53
SCHEMBL2492094 0.77 MAPT (0.57) MAPTTP53MEN1KDM4APOLB
SCHEMBL14609254 0.77 ELANE (0.54) ELANEMAPTALDH1A1LMNATP53

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed