SCHEMBL7510243

SCHEMBL7510243

c1ccc(C(c2ccccc2)c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.34
TYMP P19971 1/20 0.34
DPP4 P27487 2/20 0.32
F2 P00734 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9447469 0.89 LMNA (0.37) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL11531757 0.83 KMT2A (0.35) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL8090075 0.79 TSHR (0.39) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL9090435 0.79 CES2 (0.33) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL9090443 0.79 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1KDM4E
SCHEMBL12892188 0.79 PTGDR2 (0.37) ATMGAA
SCHEMBL9384051 0.79 DPP4 (0.39) KMT2AATMDPP4F2
SCHEMBL7679328 0.79 KMT2A (0.41) KMT2AATMALDH1A1KDM4E
SCHEMBL8090152 0.79 KMT2A (0.33) KMT2AATMSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9985742 0.78 DPP4 (0.38) KMT2AATMALDH1A1DPP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203767-A1 Heterocyclic-substituted alkylamide acat inhibitors WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-0842932-A4 PROCESS FOR PRODUCING TETRAZOLYLATED BIPHENYLMETHANE DERIVATIVES WAKUNAGA SEIYAKU KK (JP) 1998-11-25 EP disclosed
US-5693657-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-12-02 US disclosed
US-5646170-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-07-08 US disclosed
WO-1997001557-A1 PROCESS FOR PRODUCING TETRAZOLYLATED BIPHENYLMETHANE DERIVATIVES WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-01-16 WO disclosed
EP-0600950-B1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER LAMBERT CO (US) 1996-10-23 EP disclosed
EP-0684945-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-06 EP disclosed
US-5441975-A Anticholesterol agent WARNER-LAMBERT COMPANY (US) 1995-08-15 US disclosed
US-5366987-A Enzyme inhibitors, anticholesterol WARNER-LAMBERT COMPANY (US) 1994-11-22 US disclosed
WO-1994019330-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-09-01 WO disclosed
EP-0600950-A1 AMIDE TETRAZOLE ACAT INHIBITORS. WARNER LAMBERT CO (US) 1994-06-15 EP disclosed
WO-1993004052-A1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP disclosed
US-4956376-A ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 1990-09-11 US disclosed