SCHEMBL7769437

SCHEMBL7769437

O=C(CBr)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALOX12 P18054 1/20 0.46
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
GLA P06280 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL109045 0.86 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL20528840 0.86 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL14369503 0.86 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL19695817 0.83 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL15907989 0.81 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL3686150 0.81 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL300884 0.80 CA12 (0.42) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL7327634 0.79 HPGD (0.46) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL10168511 0.78 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9596298 0.78 CES2 (0.42) ALDH1A1HPGDMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011644-B1 RUBBER COMPOSITION AND PNEUMATIC TYRE FOR A VEHICLE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-10-11 EP disclosed
EP-0587639-B1 PHARMACEUTICAL COMPOSITIONS LIPOXEN LTD (GB) 2001-08-16 EP disclosed
US-5846951-A Pharmaceutical compositions THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 1998-12-08 US disclosed
EP-0587639-A1 PHARMACEUTICAL COMPOSITIONS THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 1994-03-23 EP disclosed
WO-1992022331-A1 PHARMACEUTICAL COMPOSITIONS THE SCHOOL OF PHARMACY (GB) 1992-12-23 WO disclosed