SCHEMBL7948968

SCHEMBL7948968

O=C(O)c1cccc(C(=O)O)c1Nc1nnnc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CLCN2 P51788 5/20 0.42
LMNA P02545 3/20 0.40
DHODH Q02127 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TTR P02766 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
PTGS2 P35354 2/20 0.39
AKR1C3 P42330 2/20 0.39
USP2 O75604 1/20 0.39
MT-CO2 P00403 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL7948972 0.68 NFKB1 (0.50) TSHRLMNADHODHSMN1; SMN2MEN1
SCHEMBL8984033 0.68 G6PD (0.42) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1614730 0.66 TSHR (0.77) TSHRLMNASMN1; SMN2AKR1C3CYP1A2
SCHEMBL8285642 0.65 CXCR2 (0.60) TSHRCLCN2LMNADHODHSMN1; SMN2
SCHEMBL19433699 0.64 ALDH1A1 (0.57) TSHRCLCN2SMN1; SMN2AKR1C3CYP1A2
Hydrochloric Acid SCHEMBL21808814 0.64 TSHR (0.74) TSHRLMNASMN1; SMN2AKR1C3CYP1A2
Hydrochloric Acid SCHEMBL11483376 0.64 TSHR (0.74) TSHRLMNASMN1; SMN2AKR1C3CYP1A2
SCHEMBL7308406 0.63 TSHR (0.59) TSHRCLCN2LMNADHODHSMN1; SMN2
SCHEMBL11543358 0.62 ALDH1A1 (0.57) TSHRCLCN2LMNADHODHMEN1
SCHEMBL22522823 0.61 TSHR (0.57) TSHRCLCN2LMNAMEN1KMT2A

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
US-6254669-B1 Bleed reduction agents for ink printing inks ZENECA LIMITED (GB) 2001-07-03 US disclosed
EP-0966451-A1 BLEED REDUCTION AGENTS FOR INK JET PRINTING INKS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1998034926-A1 BLEED REDUCTION AGENTS FOR INK JET PRINTING INKS AVECIA LIMITED (GB) 1998-08-13 WO disclosed