SCHEMBL8153147

SCHEMBL8153147

O=C(c1cccc2ccccc12)N1CCN(C(Cc2ccc3ccccc3c2)c2cnc[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.47
FNTB P49356 12/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL8152940 0.89 FNTA (0.48) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL8541422 0.89 ALDH1A1 (0.53) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL8520839 0.87 ALDH1A1 (0.46) FNTAFNTBALDH1A1LMNA
SCHEMBL7483971 0.87 FNTA (0.47) FNTAFNTBALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL7482278 0.86 FNTA (0.47) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL8522108 0.83 FNTA (0.49) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL3500676 0.83 FNTA (0.60) FNTAFNTBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL8452831 0.79 FNTA (0.55) FNTAFNTBMEN1KMT2A
SCHEMBL7749701 0.78 SLC6A4 (0.65)
SCHEMBL7483881 0.77 FNTA (0.38) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000508335-A 2000-07-04 JP claimed
EP-0934270-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-08-11 EP claimed
WO-1997045412-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-12-04 WO claimed