SCHEMBL7444043

SCHEMBL7444043

O=C[C@H](Cc1ccccn1)NC(=O)c1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
PTPRA P18433 1/20 0.42
CAPN1 P07384 6/20 0.40
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
HDAC6 Q9UBN7 4/20 0.35
HDAC1 Q13547 2/20 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
SCHEMBL7444470 0.82 CAPN1 (0.58) CAPN1
SCHEMBL17275375 0.79 PTPRA (0.54) FDPSPTPRACAPN1KMT2ASMN1; SMN2
SCHEMBL27264324 0.78 PTPRA (0.49) FDPSPTPRAKMT2ASMN1; SMN2TSHR
SCHEMBL7863671 0.78 PTPRA (0.49) FDPSPTPRAKMT2ASMN1; SMN2TSHR
SCHEMBL7862733 0.78 PTPRA (0.49) FDPSPTPRAKMT2ASMN1; SMN2TSHR
SCHEMBL7453772 0.76 CTSK (0.44) CAPN1POLB
SCHEMBL3759700 0.75 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL7109563 0.72 CTSK (0.48) PTPRACYP1A2HDAC6HDAC1
SCHEMBL17167272 0.71 FDPS (0.46) FDPSPTPRASMN1; SMN2TSHRCYP1A2
SCHEMBL13349692 0.71 PTPRA (0.42) FDPSPTPRACAPN1SMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946509-A1 NOVEL HETEROCYCLICALLY SUBSTITUTED BENZAMIDES AND THEIR USE IN FIGHTING DISEASES BASF AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
WO-1998025899-A1 NOVEL HETEROCYCLICALLY SUBSTITUTED BENZAMIDES AND THEIR USE IN FIGHTING DISEASES BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed