SCHEMBL8889718

SCHEMBL8889718

CCC(=O)c1c[nH]c2c(Br)cccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
BRPF1 P55201 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
DYRK1A Q13627 1/20 0.44
NR4A2 P43354 2/20 0.43
CLEC4M Q9H2X3 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13715378 0.83 BRPF1 (0.69) LMNAALDH1A1HTTBRPF1MEN1
SCHEMBL16453789 0.83 ALDH1A1 (0.80) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL3762044 0.82 KDM4E (0.50) LMNAALDH1A1HTTBRPF1DYRK1A
SCHEMBL597397 0.81 CLEC4M (0.47) LMNAALDH1A1HTTBRPF1MEN1
SCHEMBL4232413 0.79 CLEC4M (0.50) LMNAALDH1A1HTTBRPF1MEN1
SCHEMBL17113293 0.78 NR4A2 (0.70) LMNAALDH1A1HTTBRPF1MAPT
SCHEMBL8891630 0.78 ALDH1A1 (0.52) LMNAALDH1A1HTTBRPF1MEN1
SCHEMBL5269845 0.78 DYRK1A (0.46) LMNAALDH1A1HTTBRPF1DYRK1A
SCHEMBL14631629 0.76 DYRK1A (0.45) LMNAALDH1A1HTTBRPF1DYRK1A
SCHEMBL6029970 0.76 NR4A2 (0.51) LMNAALDH1A1HTTBRPF1MEN1

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
WO-1997006144-A1 2-CARBOCYCLIC AND 2-HETEROCYCLIC QUINOLINE-4-CARBOXYLIC ACIDS AND SALTS THEREOF USEFUL AS IMMUNOSUPPRESSIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-02-20 WO disclosed
US-5578609-A INHIBITORS OF DIHYDROOROTATE DEHYDROGENASE, ANTITUMOR, TREATMENT OF ORGAN REJECTION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-26 US disclosed
US-5523408-A USED FOR TREATMENT OR PREVENTION OF ORGAN TRANSPLANT REJECTION, GRAFT VERSUS HOST DISEASE, CHRONIC INFLAMMATORY DISEASES LIKE PSORIASIS, RHEUMATOID ARTHRITIS IN MAMMAL THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-04 US disclosed