SCHEMBL6603875

SCHEMBL6603875

S=Cc1cc(Cl)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ERN1 O75460 2/20 0.38
TDP1 Q9NUW8 2/20 0.35
S100A4 P26447 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
DYRK1A Q13627 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 2/20 0.31
PLA2G1B P04054 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL14752298 0.81 ERN1 (0.40) ALDH1A1ERN1TDP1S100A4TP53
SCHEMBL16952477 0.77 ALDH1A1 (0.38) ALDH1A1ERN1TDP1S100A4TP53
SCHEMBL2566805 0.77 ALDH1A1 (0.41) ALDH1A1ERN1TDP1S100A4TP53
SCHEMBL380473 0.77 ERN1 (0.57) ALDH1A1ERN1TDP1S100A4TSHR
SCHEMBL14752307 0.77 ALDH1A1 (0.41) ALDH1A1ERN1TDP1S100A4TP53
SCHEMBL16956649 0.77 ERN1 (0.42) ALDH1A1ERN1TDP1S100A4TP53
SCHEMBL2566801 0.77 ALDH1A1 (0.41) ALDH1A1ERN1TDP1S100A4TP53
SCHEMBL18426181 0.74 ALDH1A1 (0.40) ALDH1A1ERN1TSHRKMT2AMEN1
SCHEMBL18426178 0.74 ALDH1A1 (0.40) ALDH1A1ERN1TSHRKMT2AMEN1
SCHEMBL7820969 0.73 CYP3A4 (0.46) ALDH1A1ERN1TDP1TP53MAPT

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