SCHEMBL8935330

SCHEMBL8935330

NCCC(=O)NCc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
F2 P00734 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 4/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
TPSAB1 Q15661 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL8935259 0.86 CYP3A4 (0.60) LMNANPC1MAPK1RAB9AALDH1A1
SCHEMBL8935404 0.82 PARP10 (0.56) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL8935256 0.80 POLB (0.59) PKMLMNANPC1MAPK1RAB9A
SCHEMBL8935382 0.80 ALDH1A1 (0.46) LMNANPC1RAB9AALDH1A1TSHR
SCHEMBL8935238 0.79 LTA4H (0.67) ALDH1A1TSHRRECQLLTA4H
SCHEMBL8935236 0.79 MAOB (0.63)
SCHEMBL8935322 0.79 GID4 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8935341 0.78 LTA4H (0.53) EPHX2F2LMNANPC1MAPK1
SCHEMBL8935432 0.78 SCN3A (0.66) LMNANPC1RAB9AALDH1A1TSHR
SCHEMBL7350528 0.77 ALDH1A1 (0.63) LMNAALDH1A1TSHRRECQL

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed