SCHEMBL8701088

SCHEMBL8701088

COC(=O)CSc1ncnc2nc(C(=O)NN)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
NOTUM Q6P988 1/20 0.43
HPGD P15428 4/20 0.42
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 1/20 0.41
PRNP P04156 1/20 0.41
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
ENPP1 P22413 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8696237 0.75 TSHR (0.72) HPGDALDH1A1MAPK1TSHRMAPT
SCHEMBL2638138 0.74 APEX1 (0.35) ALDH1A1MAPK1KDM4EGAAPKM
SCHEMBL8237163 0.66 KDM4E (0.61) KMT2ANOTUMHPGDALDH1A1ALOX15
SCHEMBL8701095 0.65 PKM (0.45) KMT2ANOTUMHPGDALDH1A1ALOX15
SCHEMBL9081765 0.63 HPGD (0.69) KMT2AHPGDALDH1A1TSHRMAPT
SCHEMBL10379467 0.63 TSHR (0.69) HPGDALDH1A1MAPK1HSD17B10TSHR
SCHEMBL10609208 0.63 NOTUM (0.46) KMT2ANOTUMHPGDALDH1A1ALOX15
SCHEMBL30785532 0.62 P2RX7 (0.42) HPGDALDH1A1MAPK1HSD17B10MAPT
SCHEMBL9987721 0.62 NOTUM (0.48) KMT2ANOTUMHPGDALDH1A1ALOX15
SCHEMBL10118118 0.60 ALDH1A1 (0.53) KMT2AHPGDALDH1A1ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731320-A TREATING PATIENT IN NEED OF IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY OR ANTIPROLIFERATIVE THERAPY ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
US-5672605-A ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 1997-09-30 US disclosed
US-5643918-A MACROCYCLIC COMPOUNDS TO REVERSE DRUG RESISTANCE, VIRICIDES, ANTIINFLAMMATORY AGENTS AND FUNGICIDES ABBOTT LABORATORIES (US) 1997-07-01 US disclosed
US-5583139-A Marcolide immunomodulators ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5563172-A MICROBIOCIDES, FUNGICIDES, VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS ABBOTT LABORATORIES (US) 1996-10-08 US disclosed
EP-0729471-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS Abbott Laboratories (US) 1996-09-04 EP disclosed
US-5527907-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-18 US disclosed
EP-0689545-A4 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LAB (US) 1996-04-24 EP disclosed
EP-0689545-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-03 EP disclosed
WO-1995014023-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-05-26 WO disclosed
WO-1994021642-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed