SCHEMBL13190084

SCHEMBL13190084

O=C(Cl)c1cc(NO)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HPGD P15428 4/20 0.40
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
PYGL P06737 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL13190241 0.85 PYGL (0.43) POLBAPEX1HPGDALDH1A1SMN1; SMN2
SCHEMBL3820327 0.80 POLB (0.53) POLBAPEX1HPGDALDH1A1ALOX15
SCHEMBL7929417 0.78 ALDH1A1 (0.45) POLBAPEX1HPGDALDH1A1ALOX15
SCHEMBL16181917 0.78 EGFR (0.34) POLBAPEX1HPGDALDH1A1SMN1; SMN2
SCHEMBL1180396 0.74 ALDH1A1 (0.45) POLBAPEX1HPGDALDH1A1ALOX15
SCHEMBL10421170 0.74 GPR35 (0.36) POLBAPEX1HPGDSMN1; SMN2NPC1
SCHEMBL13190085 0.74 RAB9A (0.74) POLBHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL15385122 0.73 POLB (0.43) POLBAPEX1HPGDALDH1A1ALOX15
SCHEMBL13445696 0.73 ALDH1A1 (0.41) POLBAPEX1HPGDALDH1A1ALOX15
SCHEMBL101268 0.72 TSHR (0.42) POLBHPGDALDH1A1ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed