SCHEMBL6603878

SCHEMBL6603878

SCc1cc(Cl)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.56
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 3/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
SLC22A1 O15245 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSPD1 P10809 1/20 0.40
HSPA5 P11021 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 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
SCHEMBL2560634 0.81 NOS3 (0.44) IDO1NOS3NOS1NOS2HIF1A
SCHEMBL7024324 0.81 HIF1A (0.54) IDO1NOS3NOS1NOS2HIF1A
SCHEMBL5293792 0.79 NOS3 (0.42) IDO1NOS3NOS1NOS2HIF1A
SCHEMBL17332138 0.79 NOS3 (0.42) IDO1NOS3NOS1NOS2HIF1A
SCHEMBL532613 0.79 NOS3 (0.42) IDO1NOS3NOS1NOS2HIF1A
SCHEMBL30819621 0.79 NOS3 (0.42) IDO1NOS3NOS1NOS2HIF1A
SCHEMBL8751364 0.77 NOS3 (0.41) IDO1NOS3NOS1NOS2HIF1A
SCHEMBL500015 0.77 CYP3A4 (0.45) IDO1NOS3NOS1NOS2HIF1A
SCHEMBL1196832 0.77 CYP2A6 (0.44) IDO1NOS3NOS1NOS2HIF1A
SCHEMBL15813727 0.77 NOS3 (0.41) IDO1NOS3NOS1NOS2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed